Molecular dynamics studies of the P pilus rod subunit PapA (485 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Research Support, Non-U. S. Gov'T,
Impact factor: 1.807, 5-year impact factor: 1.872
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-63449138207&partnerID=40&md5=3221e7d0d77e45dc87f20a31d40306d7
Keywords: Adhesive Proteins, Chaperone, Donor-Strand Exchange, Molecular Dynamics, Protein-Protein Interactions, Bacterial Protein, Protein Papa, Unclassified Drug, Atpa Protein, E Coli, Escherichia Coli Protein, Fimbria Protein, Bacterium Pilus, Binding Site, Complex Formation, Conference Paper, Controlled Study, Molecular Model, Nonhuman, Priority Journal, Protein Domain, Protein Protein Interaction, Uropathogenic Escherichia Coli, Article, Chemistry, Computer Simulation, Protein Secondary Structure, Protein Tertiary Structure, Thermodynamics, Bacteria (microorganisms), Fimbriae Proteins, Protein Structure,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini, CNR, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
Dipartimento delle Scienze Biologiche, Sezione di Biostrutture, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
References:
Hooton, T.M., Stamm, W.E., Diagnosis and treatment of uncomplicated urinary tract infection (1997) Infect. Dis. Clin. North Am, 11, pp. 551-58
Sauer, F.G., Knight, S.D., Waksman, G.J., Hultgren, S.J., Papd-like chaperones and pilus biogenesis (2000) Semin. Cell Dev. Biol, 11, pp. 27-34
Sauer, F.G., Remaut, H., Hultgren, S.J., Waksman, G., Fiber assembly by the chaperone-usher pathway (2004) Biochim. Biophys. Acta, 1694, pp. 259-267
Zavialov, A.V., Kersley, J., Korpela, T., Zav'yalov, V.P., MacIntyre, S., Knight, S.D., Donor strand complementation mechanism in the biogenesis of non-pilus systems (2002) Mol. Microbiol, 45, pp. 983-995
Zavialov, A., Zav'yalova, G., Korpela, T., Zav'yalov, V., Fgl chaperone-assembled fimbrial polyadhesins: Anti-immune armament of gram-negative bacterial pathogens (2007) FEMS Microbiol. Rev, 31, pp. 478-514
Soto, G.E., Hultgren, S.J., Bacterial adhesins: Common themes and variations in architecture and assembly (1999) J. Bacteriol, 181, pp. 1059-1071
Dodson, K.W., Jacob-Dubuisson, F., Striker, R.T., Hultgren, S.J., Outermembrane papc molecular usher discriminately recognizes periplasmic chaperone-pilus subunit complexes (1993) Proc. Natl. Acad. Sci. U.S.A, 90, pp. 3670-3674
Knight, S.D., Structure and assembly of yersinia pestis f1 antigen (2007) Adv. Exp. Med. Biol, 603, pp. 74-87
Sauer, F.G., Mulvey, M.A., Schilling, J.D., Martinez, J.J., Hultgren, S.J., Bacterial pili: Molecular mechanisms of pathogenesis (2000) Curr. Opin. Microbiol, 3, pp. 65-72
Holmgren, A., Branden, C.I., Crystal structure of chaperone protein papd reveals an immunoglobulin fold (1989) Nature, 342, pp. 248-251
Sauer, F.G., Pinkner, J.S., Waksman, G., Hultgren, S.J., Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation (2002) Cell, 111, pp. 543-551
Sauer, F.G., Futterer, K., Pinkner, J.S., Dodson, K.W., Hultgren, S.J., Waksman, G., Structural basis of chaperone function and pilus biogenesis (1999) Science, 285, pp. 1058-1061
Zavialov, A.V., Berglund, J., Pudney, A.F., Fooks, L.J., Ibrahim, T.M., MacIntyre, S., Knight, S.D., Structure and biogenesis of the capsular f1 antigen from yersinia pestis: Preserved folding energy drives fiber formation (2003) Cell, 113, pp. 587-596
Zavialov, A.V., Tischenko, V.M., Fooks, L.J., Brandsdal, B.O., Aqvist, J., Zav'yalov, V.P., Macintyre, S., Knight, S.D., Resolving the energy paradox of chaperone/ usher-mediated fibre assembly (2005) Biochem. J, 389, pp. 685-694
Choudhury, D., Thompson, A., Stojanoff, V., Langermann, S., Pinkner, J., Hultgren, S.J., Knight, S.D., X-ray structure of the fimc-fimh chaperone-adhesin complex from uropathogenic escherichia coli (1999) Science, 285, pp. 1061-1066
Remaut, H., Rose, R.J., Hannan, T.J., Hultgren, S.J., Radford, S.E., Ashcroft, A.E., Waksman, G., Donor-strand exchange in chaperone-assisted pilus assembly proceeds through a concerted beta strand displacement mechanism (2006) Mol. Cells, 22, pp. 831-842
Verger, D., Bullitt, E., Hultgren, S.J., Waksman, G., Crystal structure of the p pilus rod subunit papa (2007) PLoS Pathog, 3, pp. e73
Remaut, H., Tang, C., Henderson, N.S., Pinkner, J.S., Wang, T., Hultgren, S.J., Thanassi, D.G., Li, H., Fiber formation across the bacterial outer membrane by the chaperone/usher pathway (2008) Cell, 133, pp. 640-652
Vitagliano, L., Ruggiero, A., Pedone, C., Berisio, R., A molecular dynamics study of pilus subunits: Insights into pilus biogenesis (2007) J. Mol. Biol, 367, pp. 935-941
Rose, R.J., Welsh, T.S., Waksman, G., Ashcroft, A.E., Radford, S.E., Paci, E., Donor-strand exchange in chaperone-assisted pilus assembly revealed in atomic detail by molecular dynamics (2008) J. Mol. Biol, 375, pp. 908-919
Jones, T.A., Interactive electron-density map interpretation: Frominter to o (2004) Acta Crystallogr. D Biol. Crystallogr, 60, pp. 2115-2125
Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A.E., Berendsen, H.J., Gromacs: Fast, flexible, and free (2005) J. Comput. Chem, 26, pp. 1701-1718
Scott, W.R.P., Huenenberger, P.H., Tironi, I.G., Mark, A.E., Billeter, S.R., Fennen, J., Torda, A.E., van Gunsteren, W.F., The gromos biomolecular simulation program package (1999) J. Phys. Chem. A, 103, pp. 3596-3607
Jorgensen, W.L., Tirado-Rives, T., The opls forcefield for proteins. Energy minimizations for crystals of cyclic peptides and crambin (1988) J. Am. Chem. Soc, 110, pp. 1657-1666
Humphrey, W., Dalke, A., Schulten, K., Vmd: Visual molecular dynamics (1996) J. Mol. Graphics, 14, pp. 27-38. , 33-38
Mu Y, Kosov DS, Stock. G. Conformational dynamics of trialanine in water. 2. Comparison of amber, charmm, gromos, and opls force fields to nmr and infrared experiments. J. Phys. Chem. B 2003
107: 5064-5073Vetsch, M., Erilov, D., Moliere, N., Nishiyama, M., Ignatov, O., Glockshuber, R., Mechanism of fibre assembly through the chaperone-usher pathway (2006) EMBO Rep, 7, pp. 734-738
Verger, D., Miller, E., Remaut, H., Waksman, G., Hultgren, S., Molecular mechanism of p pilus termination in uropathogenic escherichia coli (2006) EMBO Rep, 7, pp. 1228-1232
Hooton, T. M., Stamm, W. E., Diagnosis and treatment of uncomplicated urinary tract infection (1997) Infect. Dis. Clin. North Am, 11, pp. 551-58
Sauer, F. G., Knight, S. D., Waksman, G. J., Hultgren, S. J., Papd-like chaperones and pilus biogenesis (2000) Semin. Cell Dev. Biol, 11, pp. 27-34
Sauer, F. G., Remaut, H., Hultgren, S. J., Waksman, G., Fiber assembly by the chaperone-usher pathway (2004) Biochim. Biophys. Acta, 1694, pp. 259-267
Zavialov, A. V., Kersley, J., Korpela, T., Zav'yalov, V. P., MacIntyre, S., Knight, S. D., Donor strand complementation mechanism in the biogenesis of non-pilus systems (2002) Mol. Microbiol, 45, pp. 983-995
Soto, G. E., Hultgren, S. J., Bacterial adhesins: Common themes and variations in architecture and assembly (1999) J. Bacteriol, 181, pp. 1059-1071
Dodson, K. W., Jacob-Dubuisson, F., Striker, R. T., Hultgren, S. J., Outermembrane papc molecular usher discriminately recognizes periplasmic chaperone-pilus subunit complexes (1993) Proc. Natl. Acad. Sci. U. S. A, 90, pp. 3670-3674
Knight, S. D., Structure and assembly of yersinia pestis f1 antigen (2007) Adv. Exp. Med. Biol, 603, pp. 74-87
Sauer, F. G., Mulvey, M. A., Schilling, J. D., Martinez, J. J., Hultgren, S. J., Bacterial pili: Molecular mechanisms of pathogenesis (2000) Curr. Opin. Microbiol, 3, pp. 65-72
Sauer, F. G., Pinkner, J. S., Waksman, G., Hultgren, S. J., Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation (2002) Cell, 111, pp. 543-551
Sauer, F. G., Futterer, K., Pinkner, J. S., Dodson, K. W., Hultgren, S. J., Waksman, G., Structural basis of chaperone function and pilus biogenesis (1999) Science, 285, pp. 1058-1061
Zavialov, A. V., Berglund, J., Pudney, A. F., Fooks, L. J., Ibrahim, T. M., MacIntyre, S., Knight, S. D., Structure and biogenesis of the capsular f1 antigen from yersinia pestis: Preserved folding energy drives fiber formation (2003) Cell, 113, pp. 587-596
Zavialov, A. V., Tischenko, V. M., Fooks, L. J., Brandsdal, B. O., Aqvist, J., Zav'yalov, V. P., Macintyre, S., Knight, S. D., Resolving the energy paradox of chaperone/ usher-mediated fibre assembly (2005) Biochem. J, 389, pp. 685-694
Rose, R. J., Welsh, T. S., Waksman, G., Ashcroft, A. E., Radford, S. E., Paci, E., Donor-strand exchange in chaperone-assisted pilus assembly revealed in atomic detail by molecular dynamics (2008) J. Mol. Biol, 375, pp. 908-919
Jones, T. A., Interactive electron-density map interpretation: Frominter to o (2004) Acta Crystallogr. D Biol. Crystallogr, 60, pp. 2115-2125
Scott, W. R. P., Huenenberger, P. H., Tironi, I. G., Mark, A. E., Billeter, S. R., Fennen, J., Torda, A. E., van Gunsteren, W. F., The gromos biomolecular simulation program package (1999) J. Phys. Chem. A, 103, pp. 3596-3607
Jorgensen, W. L., Tirado-Rives, T., The opls forcefield for proteins. Energy minimizations for crystals of cyclic peptides and crambin (1988) J. Am. Chem. Soc, 110, pp. 1657-1666
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Export to BibTeX Export to EndNote
Paper type: Journal Article, Research Support, Non-U. S. Gov'T,
Impact factor: 1.807, 5-year impact factor: 1.872
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-63449138207&partnerID=40&md5=3221e7d0d77e45dc87f20a31d40306d7
Keywords: Adhesive Proteins, Chaperone, Donor-Strand Exchange, Molecular Dynamics, Protein-Protein Interactions, Bacterial Protein, Protein Papa, Unclassified Drug, Atpa Protein, E Coli, Escherichia Coli Protein, Fimbria Protein, Bacterium Pilus, Binding Site, Complex Formation, Conference Paper, Controlled Study, Molecular Model, Nonhuman, Priority Journal, Protein Domain, Protein Protein Interaction, Uropathogenic Escherichia Coli, Article, Chemistry, Computer Simulation, Protein Secondary Structure, Protein Tertiary Structure, Thermodynamics, Bacteria (microorganisms), Fimbriae Proteins, Protein Structure,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini, CNR, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
Dipartimento delle Scienze Biologiche, Sezione di Biostrutture, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
References:
Hooton, T.M., Stamm, W.E., Diagnosis and treatment of uncomplicated urinary tract infection (1997) Infect. Dis. Clin. North Am, 11, pp. 551-58
Sauer, F.G., Knight, S.D., Waksman, G.J., Hultgren, S.J., Papd-like chaperones and pilus biogenesis (2000) Semin. Cell Dev. Biol, 11, pp. 27-34
Sauer, F.G., Remaut, H., Hultgren, S.J., Waksman, G., Fiber assembly by the chaperone-usher pathway (2004) Biochim. Biophys. Acta, 1694, pp. 259-267
Zavialov, A.V., Kersley, J., Korpela, T., Zav'yalov, V.P., MacIntyre, S., Knight, S.D., Donor strand complementation mechanism in the biogenesis of non-pilus systems (2002) Mol. Microbiol, 45, pp. 983-995
Zavialov, A., Zav'yalova, G., Korpela, T., Zav'yalov, V., Fgl chaperone-assembled fimbrial polyadhesins: Anti-immune armament of gram-negative bacterial pathogens (2007) FEMS Microbiol. Rev, 31, pp. 478-514
Soto, G.E., Hultgren, S.J., Bacterial adhesins: Common themes and variations in architecture and assembly (1999) J. Bacteriol, 181, pp. 1059-1071
Dodson, K.W., Jacob-Dubuisson, F., Striker, R.T., Hultgren, S.J., Outermembrane papc molecular usher discriminately recognizes periplasmic chaperone-pilus subunit complexes (1993) Proc. Natl. Acad. Sci. U.S.A, 90, pp. 3670-3674
Knight, S.D., Structure and assembly of yersinia pestis f1 antigen (2007) Adv. Exp. Med. Biol, 603, pp. 74-87
Sauer, F.G., Mulvey, M.A., Schilling, J.D., Martinez, J.J., Hultgren, S.J., Bacterial pili: Molecular mechanisms of pathogenesis (2000) Curr. Opin. Microbiol, 3, pp. 65-72
Holmgren, A., Branden, C.I., Crystal structure of chaperone protein papd reveals an immunoglobulin fold (1989) Nature, 342, pp. 248-251
Sauer, F.G., Pinkner, J.S., Waksman, G., Hultgren, S.J., Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation (2002) Cell, 111, pp. 543-551
Sauer, F.G., Futterer, K., Pinkner, J.S., Dodson, K.W., Hultgren, S.J., Waksman, G., Structural basis of chaperone function and pilus biogenesis (1999) Science, 285, pp. 1058-1061
Zavialov, A.V., Berglund, J., Pudney, A.F., Fooks, L.J., Ibrahim, T.M., MacIntyre, S., Knight, S.D., Structure and biogenesis of the capsular f1 antigen from yersinia pestis: Preserved folding energy drives fiber formation (2003) Cell, 113, pp. 587-596
Zavialov, A.V., Tischenko, V.M., Fooks, L.J., Brandsdal, B.O., Aqvist, J., Zav'yalov, V.P., Macintyre, S., Knight, S.D., Resolving the energy paradox of chaperone/ usher-mediated fibre assembly (2005) Biochem. J, 389, pp. 685-694
Choudhury, D., Thompson, A., Stojanoff, V., Langermann, S., Pinkner, J., Hultgren, S.J., Knight, S.D., X-ray structure of the fimc-fimh chaperone-adhesin complex from uropathogenic escherichia coli (1999) Science, 285, pp. 1061-1066
Remaut, H., Rose, R.J., Hannan, T.J., Hultgren, S.J., Radford, S.E., Ashcroft, A.E., Waksman, G., Donor-strand exchange in chaperone-assisted pilus assembly proceeds through a concerted beta strand displacement mechanism (2006) Mol. Cells, 22, pp. 831-842
Verger, D., Bullitt, E., Hultgren, S.J., Waksman, G., Crystal structure of the p pilus rod subunit papa (2007) PLoS Pathog, 3, pp. e73
Remaut, H., Tang, C., Henderson, N.S., Pinkner, J.S., Wang, T., Hultgren, S.J., Thanassi, D.G., Li, H., Fiber formation across the bacterial outer membrane by the chaperone/usher pathway (2008) Cell, 133, pp. 640-652
Vitagliano, L., Ruggiero, A., Pedone, C., Berisio, R., A molecular dynamics study of pilus subunits: Insights into pilus biogenesis (2007) J. Mol. Biol, 367, pp. 935-941
Rose, R.J., Welsh, T.S., Waksman, G., Ashcroft, A.E., Radford, S.E., Paci, E., Donor-strand exchange in chaperone-assisted pilus assembly revealed in atomic detail by molecular dynamics (2008) J. Mol. Biol, 375, pp. 908-919
Jones, T.A., Interactive electron-density map interpretation: Frominter to o (2004) Acta Crystallogr. D Biol. Crystallogr, 60, pp. 2115-2125
Van Der Spoel, D., Lindahl, E., Hess, B., Groenhof, G., Mark, A.E., Berendsen, H.J., Gromacs: Fast, flexible, and free (2005) J. Comput. Chem, 26, pp. 1701-1718
Scott, W.R.P., Huenenberger, P.H., Tironi, I.G., Mark, A.E., Billeter, S.R., Fennen, J., Torda, A.E., van Gunsteren, W.F., The gromos biomolecular simulation program package (1999) J. Phys. Chem. A, 103, pp. 3596-3607
Jorgensen, W.L., Tirado-Rives, T., The opls forcefield for proteins. Energy minimizations for crystals of cyclic peptides and crambin (1988) J. Am. Chem. Soc, 110, pp. 1657-1666
Humphrey, W., Dalke, A., Schulten, K., Vmd: Visual molecular dynamics (1996) J. Mol. Graphics, 14, pp. 27-38. , 33-38
Mu Y, Kosov DS, Stock. G. Conformational dynamics of trialanine in water. 2. Comparison of amber, charmm, gromos, and opls force fields to nmr and infrared experiments. J. Phys. Chem. B 2003
107: 5064-5073Vetsch, M., Erilov, D., Moliere, N., Nishiyama, M., Ignatov, O., Glockshuber, R., Mechanism of fibre assembly through the chaperone-usher pathway (2006) EMBO Rep, 7, pp. 734-738
Verger, D., Miller, E., Remaut, H., Waksman, G., Hultgren, S., Molecular mechanism of p pilus termination in uropathogenic escherichia coli (2006) EMBO Rep, 7, pp. 1228-1232
Hooton, T. M., Stamm, W. E., Diagnosis and treatment of uncomplicated urinary tract infection (1997) Infect. Dis. Clin. North Am, 11, pp. 551-58
Sauer, F. G., Knight, S. D., Waksman, G. J., Hultgren, S. J., Papd-like chaperones and pilus biogenesis (2000) Semin. Cell Dev. Biol, 11, pp. 27-34
Sauer, F. G., Remaut, H., Hultgren, S. J., Waksman, G., Fiber assembly by the chaperone-usher pathway (2004) Biochim. Biophys. Acta, 1694, pp. 259-267
Zavialov, A. V., Kersley, J., Korpela, T., Zav'yalov, V. P., MacIntyre, S., Knight, S. D., Donor strand complementation mechanism in the biogenesis of non-pilus systems (2002) Mol. Microbiol, 45, pp. 983-995
Soto, G. E., Hultgren, S. J., Bacterial adhesins: Common themes and variations in architecture and assembly (1999) J. Bacteriol, 181, pp. 1059-1071
Dodson, K. W., Jacob-Dubuisson, F., Striker, R. T., Hultgren, S. J., Outermembrane papc molecular usher discriminately recognizes periplasmic chaperone-pilus subunit complexes (1993) Proc. Natl. Acad. Sci. U. S. A, 90, pp. 3670-3674
Knight, S. D., Structure and assembly of yersinia pestis f1 antigen (2007) Adv. Exp. Med. Biol, 603, pp. 74-87
Sauer, F. G., Mulvey, M. A., Schilling, J. D., Martinez, J. J., Hultgren, S. J., Bacterial pili: Molecular mechanisms of pathogenesis (2000) Curr. Opin. Microbiol, 3, pp. 65-72
Sauer, F. G., Pinkner, J. S., Waksman, G., Hultgren, S. J., Chaperone priming of pilus subunits facilitates a topological transition that drives fiber formation (2002) Cell, 111, pp. 543-551
Sauer, F. G., Futterer, K., Pinkner, J. S., Dodson, K. W., Hultgren, S. J., Waksman, G., Structural basis of chaperone function and pilus biogenesis (1999) Science, 285, pp. 1058-1061
Zavialov, A. V., Berglund, J., Pudney, A. F., Fooks, L. J., Ibrahim, T. M., MacIntyre, S., Knight, S. D., Structure and biogenesis of the capsular f1 antigen from yersinia pestis: Preserved folding energy drives fiber formation (2003) Cell, 113, pp. 587-596
Zavialov, A. V., Tischenko, V. M., Fooks, L. J., Brandsdal, B. O., Aqvist, J., Zav'yalov, V. P., Macintyre, S., Knight, S. D., Resolving the energy paradox of chaperone/ usher-mediated fibre assembly (2005) Biochem. J, 389, pp. 685-694
Rose, R. J., Welsh, T. S., Waksman, G., Ashcroft, A. E., Radford, S. E., Paci, E., Donor-strand exchange in chaperone-assisted pilus assembly revealed in atomic detail by molecular dynamics (2008) J. Mol. Biol, 375, pp. 908-919
Jones, T. A., Interactive electron-density map interpretation: Frominter to o (2004) Acta Crystallogr. D Biol. Crystallogr, 60, pp. 2115-2125
Scott, W. R. P., Huenenberger, P. H., Tironi, I. G., Mark, A. E., Billeter, S. R., Fennen, J., Torda, A. E., van Gunsteren, W. F., The gromos biomolecular simulation program package (1999) J. Phys. Chem. A, 103, pp. 3596-3607
Jorgensen, W. L., Tirado-Rives, T., The opls forcefield for proteins. Energy minimizations for crystals of cyclic peptides and crambin (1988) J. Am. Chem. Soc, 110, pp. 1657-1666
Molecular dynamics studies of the P pilus rod subunit PapA
Adhesion of uropathogenic Escherichia coli to host tissues is mediated by pili, which extend from the outer cell membrane of the bacterium. Here we report molecular dynamics (MD) characterizations of the major constituent of P pili from the uropathogenic E. coli, PapA, in unliganded state and in complex with the G1 strand of the chaperone PapD. To mimic the PapA response to the gradual dissociation of the PapD G1 strand and to evaluate the role of PapA chaperone recognition sites, we also carried out MD simulations of complexes of PapA with fragments of PapD G1 strand, that leave either the P4 or both P3 and P4 sites unoccupied. Data on the unbound form of PapA indicate that, upon release of the chaperone, PapA evolves toward compact states that are likely not prone to subunit-subunit association. In line with recent experimental reports, this finding implies that chaperone release and subunit-subunit association must be concerted. Our data also indicated that the gradual unbinding of the chaperone from the PapA groove has increasingly strong structural consequences. Indeed, the release of the chaperone from the site P4, which is closest to the initiation site (P5), does not have dramatic effects on the domain structure, whereas its release from both the P4 and the adjacent P3 sites induces a quick structural transition toward a collapsed state, where the subunit groove is obstructed. Copyright © 2008 European Peptide Society and John Wiley & Sons, Ltd.
Adhesion of uropathogenic Escherichia coli to host tissues is mediated by pili, which extend from the outer cell membrane of the bacterium. Here we report molecular dynamics (MD) characterizations of the major constituent of P pili from the uropathogenic E. coli, PapA, in unliganded state and in complex with the G1 strand of the chaperone PapD. To mimic the PapA response to the gradual dissociation of the PapD G1 strand and to evaluate the role of PapA chaperone recognition sites, we also carried out MD simulations of complexes of PapA with fragments of PapD G1 strand, that leave either the P4 or both P3 and P4 sites unoccupied. Data on the unbound form of PapA indicate that, upon release of the chaperone, PapA evolves toward compact states that are likely not prone to subunit-subunit association. In line with recent experimental reports, this finding implies that chaperone release and subunit-subunit association must be concerted. Our data also indicated that the gradual unbinding of the chaperone from the PapA groove has increasingly strong structural consequences. Indeed, the release of the chaperone from the site P4, which is closest to the initiation site (P5), does not have dramatic effects on the domain structure, whereas its release from both the P4 and the adjacent P3 sites induces a quick structural transition toward a collapsed state, where the subunit groove is obstructed. Copyright © 2008 European Peptide Society and John Wiley & Sons, Ltd.
Molecular dynamics studies of the P pilus rod subunit PapA
Molecular dynamics studies of the P pilus rod subunit PapA
Other filter: ([btitle,keywords] "Adhesive Proteins" O ...
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Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Aug 7; 26(16): N/D-N/D.
Impact Factor: 4.411
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Troisi R, Balasco N, Santamaria A, Vitagliano L, Sica F
* Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human α-thrombin (26 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 Jun 30; 181: 858-867.
Impact Factor: 5.162
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Di Gaetano S, Capasso D, Delre P, Pirone L, Saviano M, Pedone E, Mangiatordi GF
* More Is Always Better Than One: The N-Terminal Domain of the Spike Protein as Another Emerging Target for Hampering the SARS-CoV-2 Attachment to Host Cells (27 views)
Int J Mol Sci (ISSN: 1422-0067linking), 2021 Jun 16; 22 (12 ): N/D-N/D.
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Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
* Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? (26 views)
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 Jun 5; 19: 3427-3436.
Impact Factor: 7.271
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Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F, Roviello GN, Mocci F
* Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA (25 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2021 Jun 2; 22(11): 6028-6028.
Impact Factor: 5.923
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Farina B, Andrea C, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Paladino A, Acconcia C, Teresa Gentile M, Saviano M, Fattorusso R, Zaccaro L, Russo L
* A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-α(v)β(5) integrin complex (42 views)
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 May 29; 19: 3303-3318.
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Marchesani F, Gianquinto E, Autiero I, Michielon A, Campanini B, Faggiano S, Bettati S, Mozzarelli A, Spyrakis F, Bruno S
* The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase (61 views)
Febs J (ISSN: 1742-464xlinking), 2021 May; 288(9): 3034-3054.
Impact Factor: 4.739
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Platella C, Napolitano E, Riccardi C, Musumeci D, Montesarchio D
* Disentangling the Structure-Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs (12 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print), 2021 Apr 8; 64(7): 3578-3603.
Impact Factor: 7.446
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Troisi R, Balasco N, Vitagliano L, Sica F
* Molecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exosites (65 views)
J Biomol Struct Dyn (ISSN: 0739-1102linking, 1538-0254electronic), 2021 Apr; 39(6): 2199-2209.
Impact Factor: 4.986
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Kramarska E, Squeglia F, De Maio F, Delogu G, Berisio R
* PE_PGRS33, an Important Virulence Factor of Mycobacterium tuberculosis and Potential Target of Host Humoral Immune Response (19 views)
Cells (ISSN: 2073-4409linking, 2073-4409electronic), 2021 Jan 15; 10(1): N/D-N/D.
Impact Factor: 6.6
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Vincenzi M, Mercurio FA, Leone M
* Protein Interaction Domains: structural features and drug discovery applications (part 2) (79 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021; 28(5): 854-892.
Impact Factor: 4.184
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Tornatore L, Capece D, Sandomenico A, Verzella D, Vecchiotti D, Zazzeroni F, Ruvo M, Franzoso G
* The Screening of Combinatorial Peptide Libraries for Targeting Key Molecules or Protein-Protein Interactions in the NF-κB Pathway (8 views)
Methods Mol Biol (ISSN: 1064-3745linking, 1940-6029electronic), 2021; 2366: 343-356.
Impact Factor: 1.17
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Moccia M, Mercurio FA, Langella E, Piacenti V, Leone M, Adamo MFA, Saviano M
* Structural Insights on Tiny Peptide Nucleic Acid (PNA) Analogues of miRNA-34a: An in silico and Experimental Integrated Approach (74 views)
Front Chem (ISSN: 2296-2646linking), 2020 Nov 23; 8: 568575-568575.
Impact Factor: 3.693
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Ronda L, Tonelli A, Sogne E, Autiero I, Spyrakis F, Pellegrino S, Abbiati G, Maffioli E, Schulte C, Piano R, Cozzini P, Mozzarelli A, Bettati S, Clerici F, Milani P, Lenardi C, Tedeschi G, Gelmi ML
* Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus (84 views)
Sensors (ISSN: 1424-8220linking, 1424-3210), 2020 Sep 2; 20(17): N/D-N/D.
Impact Factor: 3.275
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D'Abrosca G, Paladino A, Baglivo I, Russo L, Sassano M, Grazioso R, Iacovino R, Pirone L, Pedone E, Pedone P, Isernia C, Fattorusso R, Malgieri G
* Structural Insight of the Full-Length Ros Protein: A Prototype of the Prokaryotic Zinc-Finger Family (124 views)
Sci Rep (ISSN: 2045-2322, 2045-2322linking, 2045-2322electronic), 2020 Jun 9; 10(1): 9283-9283.
Impact Factor: 4.011
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Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A, Pirone L, Pedone E, Peiretti F, Brunel JM, Itoh T, Pochetti G
* Insights into PPARγ Phosphorylation and Its Inhibition Mechanism (146 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print), 2020 May 14; 63(9): 4811-4823.
Impact Factor: 6.205
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Doti N, Caporale A, Monti A, Sandomenico A, Selis F, Ruvo M
* A recent update on the use of microbial transglutaminase for the generation of biotherapeutics (88 views)
World J Microbiol Biotechnol (ISSN: 0959-3993linking), 2020 Mar 14; 36(4): 53-53.
Impact Factor: 2.477
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Mercurio FA, Di Natale C, Pirone L, Vincenzi M, Marasco D, De Luca S, Pedone EM, Leone M
* Exploring the ability of cyclic peptides to target SAM domains: a computational and experimental study (266 views)
Chembiochem (ISSN: 1439-4227linking, 1439-7633), 2020 Mar 2; 21(5): 702-711.
Impact Factor: 2.641
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La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
* Symmetry-breaking transitions in the early steps of protein self-assembly (81 views)
Eur Biophys J (ISSN: 0175-7571linking, 1432-1017), 2020 Mar; 49(2): 175-191.
Impact Factor: 2.094
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Vincenzi M, Mercurio FA, Leone M
* Sam Domains in Multiple Diseases (237 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2020; 27(3): 450-476.
Impact Factor: 3.469
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Piacenti V, Langella E, Autiero I, Nolan JC, Piskareva O, Adamo MFA, Saviano M, Moccia M
* A combined experimental and computational study on peptide nucleic acid (PNA) analogues of tumor suppressive miRNA-34a (221 views)
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Oct; 91: 103165-103165.
Impact Factor: 3.9
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Iaccarino E, Sandomenico A, Corvino G, Foca G, Severino V, Russo R, Caporale A, Raimondo D, D'Abramo M, Alba J, Chambery A, Ruvo M
* Investigating the oxidative refolding mechanism of Cripto-1 CFC domain (320 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Sep 15; 137: 1179-1189.
Impact Factor: 4.784
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Balasco N, Smaldone G, Vitagliano L
* The Structural Versatility of the BTB Domains of KCTD Proteins and Their Recognition of the GABA(B) Receptor (76 views)
Biomolecules (ISSN: 2218-273xlinking), 2019 Jul 31; 9 (8 ): N/D-N/D.
Impact Factor: 2.095
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Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
* Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera (292 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.
Impact Factor: 4.784
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Squeglia F, Moreira M, Ruggiero A, Berisio R
* The Cell Wall Hydrolytic NlpC/P60 Endopeptidases in Mycobacterial Cytokinesis: A Structural Perspective (217 views)
Cells (ISSN: 2073-4409linking, 2073-4409electronic), 2019 Jun 18; 8(6): N/D-N/D.
Impact Factor: 5.7
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Pirone L, Pitzer JE, D'Abrosca G, Fattorusso R, Malgieri G, Pedone EM, Pedone PV, Roop RM, Baglivo I
* Identifying the region responsible for Brucella abortus MucR higher-order oligomer formation and examining its role in gene regulation (180 views)
Sci Rep (ISSN: 2045-2322electronic, 2045-2322linking), 2018 Nov 22; 8(1): 17238-17238.
Impact Factor: 5.078
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De Maio F, Squeglia F, Goletti D, Delogu G
* The Mycobacterial HBHA Protein: a Promising Biomarker for Tuberculosis (208 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2018 Oct 29; 26(11): 2051-2060.
Impact Factor: 3.519
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Calvanese L, Falcigno L, Squeglia F, Berisio R, D'Auria G
* PASTA sequence composition is a predictive tool for protein class identification (205 views)
Amino Acids (ISSN: 1438-2199electronic, 0939-4451linking), 2018 Oct; 50(10): 1441-1450.
Impact Factor: 4.106
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Scollo F, Tempra C, Lolicato F, Sciacca MFM, Raudino A, Milardi D, La Rosa C
* Phospholipids Critical Micellar Concentrations Trigger Different Mechanisms of Intrinsically Disordered Proteins Interaction with Model Membranes (420 views) (PDF 117 views)
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking), 2018 Sep 6; 9(17): 5125-5129.
Impact Factor: 6.687
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Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (317 views)
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.
Impact Factor: 6.721
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Balasco N, Barone D, Iaccarino E, Sandomenico A, De Simone A, Ruvo M, Vitagliano L
* Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein (269 views)
Int J Biol Macromol (ISSN: 1879-0003electronic, 0141-8130linking), 2018 Sep; 116: 620-632.
Impact Factor: 1.427
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Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
* Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation (190 views)
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Aug; 109(10): e23225-e23225.
Impact Factor: 1.908
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Diaferia C, Balasco N, Sibillano T, Giannini C, Vitagliano L, Morelli G, Accardo A
* Structural Characterization of Self-Assembled Tetra-Tryptophan Based Nanostructures: Variations on a Common Theme (76 views)
Chemphyschem (ISSN: 1439-4235linking, 1439-7641), 2018 Jul 5; 19 (13 ): 1635-1642.
Impact Factor: 3.502
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Smaldone G, Berisio R, Balasco N, D'Auria S, Vitagliano L, Ruggiero A
* Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization (248 views)
Bba-Gen Subjects (ISSN: 1570-9639print, 1570-9639linking, 0005-2728), 2018 May 31; 1866(9): 952-962.
Impact Factor: 2.773
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Martinez-fernandez L, Improta R
* Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides (239 views)
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking), 2018 May 16; 17(5): 586-591.
Impact Factor: 2.939
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Diaferia C, Balasco N, Sibillano T, Ghosh M, Adler-abramovich L, Giannini C, Vitagliano L, Morelli G, Accardo A
* Amyloid-Like Fibrillary Morphology Originated by Tyrosine-Containing Aromatic Hexapeptides (82 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2018 May 7; 24 (26 ): 6804-6817.
Impact Factor: 5.476
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Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (303 views)
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.
Impact Factor: 3.687
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Autiero I, Ruvo M, Improta R, Vitagliano L
* The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition (231 views)
Bba-Gen Subjects (ISSN: 0304-4165print, 0304-4165linking, 1872-8006electronic), 2018 Apr; 1862(4): 1006-1016.
Impact Factor: 3.829
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Squeglia F, Berisio R, Ruggiero A
* The novel thermostable cellulose-degrading enzyme DtCel5H from Dictyoglomus thermophilum: crystallization and X-ray crystallographic analysis (335 views)
Acta Crystallogr F Struct Biol Commun (ISSN: 2053-230xelectronic, 2053-230xlinking), 2018 Jan 1; 74(Pt1): 1-5.
Impact Factor: 0.8
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Fusco FA, Ronca R, Fiorentino G, Pedone E, Contursi P, Bartolucci S, Limauro D
* Biochemical characterization of a thermostable endomannanase/endoglucanase from Dictyoglomus turgidum (449 views)
Extremophiles (ISSN: 1433-4909electronic, 1431-0651linking), 2018 Jan; 22(1): 131-140.
Impact Factor: 2
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Farina B, Sturlese M, Mascanzoni F, Caporale A, Monti A, Sorbo GD, Fattorusso R, Ruvo M, Doti N
* Binding mode of AIF(370–394) peptide to CypA: insights from NMR, label-free and molecular docking studies (1064 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2018; 475(14): 2377-2393.
Impact Factor: 4.897
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Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A
* Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells (921 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2018; 61(7): 2910-2923.
Impact Factor: 5.207
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Calvanese L, Caporale A, Focà G, Iaccarino E, Sandomenico A, Doti N, Apicella I, Incisivo GM, De Falco S, Falcigno L, D’auria G, Ruvo M
* Targeting VEGF receptors with non-neutralizing cyclopeptides for imaging applications (496 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2017 Dec 2; 50(2): 321-329.
Impact Factor: 2.906
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Baglivo I, Pirone L, Pedone E, Pitzer JE, Muscariello L, Marino MM, Malgieri G, Freschi A, Chambery A, Roop Ii RM, Pedone PV
* Ml proteins from Mesorhizobium loti and MucR from Brucella abortus: an AT-rich core DNA-target site and oligomerization ability (241 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2017 Nov 17; 7(1): 15805-15805.
Impact Factor: 4.122
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Mercurio FA, Costantini S, Di Natale C, Pirone L, Guariniello S, Scognamiglio PL, Marasco D, Pedone EM, Leone M
* Structural investigation of a C-terminal EphA2 receptor mutant: Does mutation affect the structure and interaction properties of the Sam domain? (332 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639linking), 2017 Jun 06; 1865(9): 1095-1104.
Impact Factor: 4.28
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
* Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis (359 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2017 May; 35(6): 1322-1330.
Impact Factor: 3.107
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Dennehy R, RomanoM, Ruggiero A, Mohamed YF, Dignam SL, Mujica Troncoso C, Callaghan M, Valvano MA, Berisio R, Mcclean S
* The Burkholderia cenocepacia peptidoglycan-associated lipoprotein is involved in epithelial cell attachment and elicitation of inflammation (291 views)
Cell Microbiol (ISSN: 1462-5814), 2017 May; 19(5): e12691-e12691.
Impact Factor: 4.41
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Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M, Iaccarino E, Ruvo M, Dias-baruffi M, Carvalho I
* A Synthetic MUC1 Glycopeptide Bearing betaGalNAc-Thr as a Tn Antigen Isomer Induces the Production of Antibodies against Tumor Cells (1299 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2017 Mar 16; 18(6): 527-538.
Impact Factor: 2.774
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Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (363 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
* Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ (239 views)
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.
Impact Factor: 4.722
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Lanza V, Travaglia A, Malgieri G, Fattorusso R, GrassoG, Di Natale G, Zito V, Arena G, Milardi D, Rizzarelli E
* Ubiquitin Associates with the N-Terminal Domain of Nerve Growth Factor: The Role of Copper(II) Ions (279 views) (PDF 172 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Dec 05; 22(49): 17767-17775.
Impact Factor: 5.317
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (301 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.
Impact Factor: 3.123
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Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V, Vitagliano L, Morelli G, Accardo A
* Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures (389 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.
Impact Factor: 5.317
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Pirone L, Smaldone G, Esposito C, Balasco N, Petoukhov MV, Spilotros A, Svergun DI, Di Gaetano S, Vitagliano L, Pedone E
* Proteins involved in sleep homeostasis: Biophysical characterization of INC and its partners (323 views) (PDF 192 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2016 Sep 24; 131: 106-114.
Impact Factor: 3.112
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Barone D, Balasco N, Vitagliano L
* KCTD5 is endowed with large, functionally relevant, interdomain motions (235 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Aug; 34(8): 1725-1735.
Impact Factor: 3.123
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Smaldone G, Vigorita M, Ruggiero A, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G, Vitagliano L
* Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein (306 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2016 Jul; 1864(7): 814-824.
Impact Factor: 4.932
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Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
* Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide (382 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2015 Nov 25; 5: 16651-16651.
Impact Factor: 5.228
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Bottini A, Wu B, Barile E, De SK, Leone M, Pellecchia M
* High-Throughput Screening (HTS) by NMR Guided Identification of Novel Agents Targeting the Protein Docking Domain of YopH (422 views)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7179linking), 2015 Nov 23; 11(8): 919-927.
Impact Factor: 2.98
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Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
* Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode (83 views)
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.
Impact Factor: 4.351
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
* The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains (328 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2015 Nov 5; 1860(2): 445-451.
Impact Factor: 4.864
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Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (571 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
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Smaldone G, Pirone L, Balasco N, Di Gaetano S, Pedone E, Vitagliano L
* Cullin 3 recognition is not a universal property among KCTD proteins (565 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 May 14; 10(5): e0126808-e0126808.
Impact Factor: 3.057
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De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (568 views) (PDF 44 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
* A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria (482 views)
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.
Impact Factor: 4.237
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Calvanese L, Falcigno L, D'Auria G
* Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin (403 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2015 Mar; 103(3): 158-166.
Impact Factor: 2.248
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Autiero I, Saviano M, Langella E
* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (473 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.
Impact Factor: 3.902
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Balasco N, Barone D, Vitagliano L
* Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations (432 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2015 Jan 12; 33(10): 2173-2179.
Impact Factor: 2.3
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Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C, Fagoonee S, Altruda F, Aberdam D, Brissette JL, Missero C
* A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms (832 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2015 Jan; 43(2): 862-874.
Impact Factor: 9.202
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Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (449 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
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Calce E, Vitale RM, Scaloni A, Amodeo P, De Luca S
* Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides (597 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; 47(8): 1507-1515.
Impact Factor: 3.196
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Vincenzi M, Costantini S, Scala S, Tesauro D, Accardo A, Leone M, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L, Rossi F
* Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4 (528 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(6): 12159-12173.
Impact Factor: 3.257
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Yousif AM, Minopoli M, Bifulco K, Ingangi V, Di Carluccio G, Merlino F, Motti ML, Grieco P, Carriero MV
* Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes (423 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(5): N/D-N/D.
Impact Factor: 3.057
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Vitiello G, Falanga A, Petruk AA, Merlino A, Fragneto G, Paduano L, Galdiero S, D'Errico G
* Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism (381 views)
Soft Matter (ISSN: 1744-683x), 2015; 11(15): 3003-3016.
Impact Factor: 3.798
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Carbonniere P, Pouchan C, Improta R
* Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study (341 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.
Impact Factor: 4.449
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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (426 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Lolicato F, Raudino A, Milardi D, La Rosa C
* Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study (544 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 92: 876-881.
Impact Factor: 3.902
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Russo L, Palmieri M, Caso JV, Abrosca GD, Diana D, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
* Towards understanding the molecular recognition process in prokaryotic zinc-finger domain (415 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
* Structural determinants in prion protein folding and stability (582 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking), 2014 Nov 11; 426(22): 3796-3810.
Impact Factor: 4.333
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Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
* Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin (434 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.
Impact Factor: 3.234
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Mercurio FA, Scognamiglio PL, Di Natale C, Marasco D, Pellecchia M, Leone M
* Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam (346 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.
Impact Factor: 2.385
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
* Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism (392 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.
Impact Factor: 3.234
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Vitale RM, Zaccaro L, Di Blasio B, Fattorusso R, Isernia C, Amodeo P, Pedone C, Saviano M
* Conformational features of human melanin-concentrating hormone: an NMR and computational analysis (457 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2014 Sep 17; 4(1): 73-81.
Impact Factor: 3.088
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Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (363 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
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Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (366 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
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Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
* Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides (1043 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014 Jun 23; 81: 442-455.
Impact Factor: 3.447
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Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
* A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima (437 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 May 15; 9(5): e96560-e96560.
Impact Factor: 3.234
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Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
* Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases (355 views)
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.
Impact Factor: 3.738
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Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
* The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41 (420 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.
Impact Factor: 4.573
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Palmieri M, Russo L, Malgieri G, Esposito S, Baglivo I, Rivellino A, Farina B, de Paola I, Zaccaro L, Milardi D, Isernia C, Pedone PV, Fattorusso R
* Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant (407 views)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2014 Feb; 131: 30-36.
Impact Factor: 3.444
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D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
* Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis (453 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
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Hayafune M, Berisio R, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S, Squeglia F, Ruggiero A, Tokuyasu K, Molinaro A, Kaku H, Shibuya N
* Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization (671 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.
Impact Factor: 9.674
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Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
* Adsorption of NGF and BDNF derived peptides on gold surfaces (492 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(4): 1536-1544.
Impact Factor: 4.493
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Lin L-L, Chen Y-Y, Chi M-C, Merlino A
* Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion (410 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.
Impact Factor: 4.882
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Autiero I, Saviano M, Langella E
* Molecular Dynamics Simulations Of Pna-Pna And Pna-Dna Duplexes By The Use Of New Parameters Implemented In The Gromacs Package: A Conformational And Dynamics Study (593 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(5): 1868-1874.
Impact Factor: 4.493
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Contursi P, Farina B, Pirone L, Fusco S, Russo L, Bartolucci S, Fattorusso R, Pedone E
* Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family (383 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2014; 42(9): 5993-6011.
Impact Factor: 9.112
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Malgieri G, Palmieri M, Esposito S, Maione V, Russo L, Baglivo I, De Paola I, Milardi D, Diana D, Zaccaro L, Pedone PV, Fattorusso R, Isernia C
* Zinc To Cadmium Replacement In The Prokaryotic Zinc-Finger Domain (458 views)
Metallomics (ISSN: 1756-591x, 1756-5901, 1756-591xelectronic), 2013 Dec 18; 6(1): 96-104.
Impact Factor: 3.978
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (594 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
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Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
* The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study (442 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print), 2013 Nov; 1828(11): 2637-2645.
Impact Factor: 3.498
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Del Giudice I, Limauro D, Pedone E, Bartolucci S, Fiorentino G
* A novel arsenate reductase from the bacterium Thermus thermophilus HB27: Its role in arsenic detoxification (420 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Oct; 1834(10): 2071-2079.
Impact Factor: 3.191
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Diana D, Smaldone G, De Antonellis P, Pirone L, Carotenuto M, Alonzi A, Di Gaetano S, Zollo M, Pedone E, Fattorusso R
* Mapping Functional Interaction Sites of Human Prune C-Terminal Domain by NMR Spectroscopy in Human Cell Lysates (389 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Sep 9; 19(37): 12217-12220.
Impact Factor: 5.696
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Alcides Petruk A, Vergara A, Estrin D, Merlino A
* Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study (393 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.
Impact Factor: 3.341
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Squeglia F, Bachert B, Romano M, Lukomski S, Berisio R
* Crystallization and preliminary X-ray crystallographic analysis of the variable domain of Scl2. 3, a streptococcal collagen-like protein from invasive M3-type Streptococcus pyogenes (369 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Sep; 69(9): 1023-1025.
Impact Factor: 0.568
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Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
* Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques (418 views)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.
Impact Factor: 2.095
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Correale S, Ruggiero A, Capparelli R, Pedone E, Berisio R
* Structures of free and inhibited forms of the L, D-transpeptidase LdtMt1 from Mycobacterium tuberculosis (398 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Sep; 69(Pt9): 1697-1706.
Impact Factor: 7.232
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Autiero I, Saviano M, Langella E
* In silico investigation and targeting of amyloid beta oligomers of different size (500 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic), 2013 Aug; 9(8): 2118-2124.
Impact Factor: 3.18
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Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
* Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses (441 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
Impact Factor: 3.832
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De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (608 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
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Attanasio F, Convertino M, Magno A, Caflisch A, Corazza A, Haridas H, Esposito G, Cataldo S, Pignataro B, Milardi D, Rizzarelli E
* Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster (697 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.
Impact Factor: 3.06
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Correale S, Ruggiero A, Pedone E, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the l, d-transpeptidase LdtMt1 from Mycobacterium tuberculosis (404 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Mar 1; 69(3): 253-256.
Impact Factor: 0.568
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Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
* Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis (408 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.
Impact Factor: 2.983
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Grasso G, Spoto G
* Plasmonics for the study of metal ion-protein interactions (414 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Feb; 405(6): 1833-1843.
Impact Factor: 3.578
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Mercurio FA, Marasco D, Pirone L, Scognamiglio PL, Pedone E, Pellecchia M, Leone M
* Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights (357 views)
Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633), 2013 Jan 2; 14(1): 100-106.
Impact Factor: 2.92
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Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (411 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
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Pica A, Russo Krauss I, Castellano I, La Cara F, Graziano G, Sica F, Merlino A
* Effect Of Nacl On The Conformational Stability Of The Thermophilic Gamma-Glutamyltranspeptidase From Geobacillus Thermodenitrificans: Implication For Globular Protein Halotolerance (334 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Jan; 1834(1): 149-157.
Impact Factor: 3.191
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
* Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage (728 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2013; 15(23): 8940-8951.
Impact Factor: 4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A, Galdiero S, D'Ursi A, Merlino A, D'Errico G
* Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36 (410 views)
Soft Matter (ISSN: 1744-683x), 2013; 9(28): 6442-6456.
Impact Factor: 4.151
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Lin LL, Merlino A
* Heterogeneous nucleation helps the search for initial crystallization conditions of γ-glutamyl transpeptidase from Bacillus licheniformis (280 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013; 69(6): 669-672.
Impact Factor: 0.568
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Autiero I, Langella E, Saviano M
* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (572 views)
Molecular Biosystems (ISSN: 1742-206x, 1742-2206), 2013; 9(11): 2835-2841.
Impact Factor: 3.18
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Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F
* Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model (325 views)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking), 2013; 163: 223-242.
Impact Factor: 4.194
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Berisio R, Vitagliano L
* Polyproline and triple helix motifs in Host-Pathogen recognition (764 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2012 Dec; 13(8): 855-865.
Impact Factor: 2.326
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Kaprelyants AS, Mukamolova GV, Ruggiero A, Makarov VA, Demina GR, Shleeva MO, Potapov VD, Shramko PA
* Resuscitation-promoting Factors (Rpf): In Search of Inhibitors (495 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1026-1034.
Impact Factor: 1.994
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Berisio R, Ciccarelli L, Squeglia F, De Simone A, Vitagliano L
* Structural and Dynamic properties of incomplete immunoglobulin-like fold domains (477 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.
Impact Factor: 1.994
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Stanzione F, De Simone A, Esposito L, Vitagliano L
* Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide (461 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.
Impact Factor: 1.994
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
* Interactions of two O-phosphorylresveratrol derivatives with model membranes (337 views)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
Impact Factor: 0
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Ascione G, de Pascale D, De Santi C, Pedone C, Dathan NA, Monti SM
* Native expression and purification of hormone-sensitive lipase from Psychrobacter sp. TA144 enhances protein stability and activity (509 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2012 Apr 13; 420(3): 542-546.
Impact Factor: 2.406
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (414 views)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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Pica A, Russo Krauss I, Castellano I, Rossi M, La Cara F, Graziano G, Sica F, Merlino A
* Exploring The Unfolding Mechanism Of Gamma-Glutamyltranspeptidases: The Case Of The Thermophilic Enzyme From Geobacillus Thermodenitrificans (396 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2012 Apr; 1824(4): 571-577.
Impact Factor: 3.733
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Balsamo A, Sannino F, Merlino A, Parrilli E, Tutino ML, Mazzarella L, Vergara A
* Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins (407 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.
Impact Factor: 3.142
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Esposito C, Cantisani M, D'Auria G, Falcigno L, Pedone E, Galdiero S, Berisio R
* Mapping key interactions in the dimerization process of HBHA from Mycobacterium tuberculosis, insights into bacterial agglutination (461 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2012 Mar 23; 586(6): 659-667.
Impact Factor: 3.582
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Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
* Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation (520 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.
Impact Factor: 5.614
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Merlino A, Russo Krauss I, Rossi B, De Vendittis A, Marco S, De Vendittis E, Vergara A, Sica F
* Identification of an active dimeric intermediate populated during the unfolding process of the cambialistic superoxide dismutase from Streptococcus mutans (353 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Mar; 94(3): 768-775.
Impact Factor: 3.142
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Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
* Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability (300 views)
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2012 Feb; 177(2): 506-512.
Impact Factor: 3.361
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (470 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M, Galdiero S
* Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity (510 views)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic), 2012; 7: 2361-2371.
Impact Factor: 3.463
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Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
* Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion (307 views)
Soft Matter (ISSN: 1744-683x), 2012; 8(1): 53-56.
Impact Factor: 3.909
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Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (287 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Ruggiero A, Dattelbaum JD, Pennacchio A, Iozzino L, Staiano M, Luchansky MS, Der BS, Berisio R, D'Auria S, Vitagliano L
* Crystallization and preliminary X-ray crystallographic analysis of ligand-free and arginine-bound forms of Thermotoga maritima arginine-binding protein (401 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Nov 1; 67(11): 1462-1465.
Impact Factor: 0.506
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Ruvo M, Sandomenico A, Tudisco L, De Falco S
* Branched peptides for the modulation of protein-protein interactions: More arms are better than one? (523 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2011 Jun; 18(16): 2429-2437.
Impact Factor: 4.859
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Vitagliano L, Berisio R, De Simone A
* Role of hydration in collagen recognition by bacterial adhesins (662 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.
Impact Factor: 3.653
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Contursi P, D'Ambrosio K, Pirone L, Pedone E, Aucelli T, She Q, De Simone G, Bartolucci S
* C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family (1011 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 157-166.
Impact Factor: 4.897
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Ruggiero A, Squeglia F, Marasco D, Marchetti R, Molinaro A, Berisio R
* X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus (510 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 33-41.
Impact Factor: 4.897
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Correale S, Pirone L, Di Marcotullio L, De Smaele E, Greco A, Mazzà D, Moretti M, Alterio V, Vitagliano L, Di Gaetano S, Gulino A, Pedone E
* Molecular organization of the cullin E3 ligase adaptor KCTD11 (435 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2011 Apr; 93(4): 715-724.
Impact Factor: 3.022
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Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (370 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
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Ruggiero A, Squeglia F, Pirone L, Correale S, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a major fragment of the resuscitation-promoting factor RpfB from Mycobacterium tuberculosis (407 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Jan 1; 67(1): 164-168.
Impact Factor: 0.506
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Milardi D, Sciacca MFM, Pappalardo M, Grasso DM, La Rosa C
* The Role Of Aromatic Side-Chains In Amyloid Growth And Membrane Interaction Of The Islet Amyloid Polypeptide Fragment Lanflvh (457 views)
Eur Biophys J, 2011 Jan; 40(1): 1-12.
Impact Factor: 3.832
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Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (373 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
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Merlino A, Russo Krauss I, Castellano I, De Vendittis E, Rossi B, Conte M, Vergara A, Sica F
* Structure and flexibility in cold-adapted iron superoxide dismutases: The case of the enzyme isolated from Pseudoalteromonas haloplanktis (497 views)
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2010 Dec; 172(3): 343-352.
Impact Factor: 3.5
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D'Auria G, Esposito C, Falcigno L, Calvanese L, Iaccarino E, Ruggiero A, Pedone C, Pedone E, Berisio R
* Dynamical properties of cold shock protein A from Mycobacterium tuberculosis (321 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2010 Nov 26; 402(4): 693-698.
Impact Factor: 2.595
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Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S
* Multiple catalytically active thioredoxin folds: a winning strategy for many functions (710 views)
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.
Impact Factor: 7.047
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Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
* Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors (440 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2010 Oct 6; 99(7): 2273-2278.
Impact Factor: 4.218
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Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (373 views)
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
Impact Factor: 3.787
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Farina B, Pirone L, Russo L, Viparelli F, Doti N, Pedone C, Pedone E, Fattorusso R
* NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites (674 views)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
Impact Factor: 3.129
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Ruggiero A, Marasco D, Squeglia F, Soldini S, Pedone E, Pedone C, Berisio R
* Structure and functional regulation of RipA, a mycobacterial enzyme essential for daughter cell separation (419 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2010 Sep 8; 18(9): 1184-1190.
Impact Factor: 6.337
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Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (280 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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Leone M, Barile E, Vazquez J, Mei A, Guiney D, Dahl R, Pellecchia M
* NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH (519 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.
Impact Factor: 2.527
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Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (301 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
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Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (461 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
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Pennacchio A, Giordano A, Esposito L, Langella E, Rossi M, Raia CA
* Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity (453 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Apr; 17(4): 437-443.
Impact Factor: 1.849
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Severino V, Chambery A, Vitiello M, Cantisani M, Galdiero S, Galdiero M, Malorni L, Di Maro A, Parente A
* Proteomic Analysis of Human U937 Cell Line Activation Mediated by Haemophilus influenzae Type b P2 Porin and Its Surface-Exposed Loop (460 views)
J Proteome Res (ISSN: 1535-3893), 2010 Feb; 9(2): 1050-1062.
Impact Factor: 5.46
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Ruggiero A, Squeglia F, Esposito C, Marasco D, Pedone E, Pedone C, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the resuscitation promoting factor interacting protein RipA from M. tuberculosis (348 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Jan; 17(1): 70-73.
Impact Factor: 1.849
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Luchansky MS, Der BS, D'Auria S, Pocsfalvi G, Iozzino L, Marasco D, Dattelbaum JD
* Amino acid transport in thermophiles: characterization of an arginine-binding protein in Thermotoga maritima (551 views)
Molecular Biosystems (ISSN: 1742-206x), 2010; 6(1): 142-151.
Impact Factor: 3.825
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Sciacca MFM, Pappalardo M, Attanasio F, Milardi D, La Rosa C, Grasso DM
* Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP(12-18) and IAPP(21-27) peptides (401 views)
New J Chem (ISSN: 1144-0546), 2010; 34(2): 200-207.
Impact Factor: 2.631
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (337 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (549 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
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D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
* Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus (469 views)
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.
Impact Factor: 3.085
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Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (381 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
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Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (470 views)
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.
Impact Factor: 3.871
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Sandomenico A, Monti SM, Sabatella M, De Capua A, Tornatore L, Doti N, Viparelli F, Dathan NA, Pedone C, Ruvo M, Marasco D
* Protein-protein interactions: a simple strategy to identify binding sites and peptide antagonists (558 views)
Chem Biol Drug Des (ISSN: 1747-0285, 1747-0277), 2009 May; 73(5): 483-493.
Impact Factor: 2.473
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (708 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Ruggiero A, Tizzano B, Pedone E, Pedone C, Wilmanns M, Berisio R
* Crystal Structure of the Resuscitation-Promoting Factor (Delta DUF)RpfB from M. tuberculosis (571 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009 Jan 9; 385(1): 153-162.
Impact Factor: 3.871
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Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
* First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop (396 views)
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.
Impact Factor: 5.132
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Vitagliano L, Esposito L, Pedone C, De Simone A
* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (626 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
Impact Factor: 2.648
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion proteins leading to neurodegeneration (420 views)
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
Impact Factor: 4.132
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Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (446 views)
Chem Phys Lett (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
Impact Factor: 2.169
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (362 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (488 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Conformational states and association mechanism of Yersinia pestis Caf1 subunits (322 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2008 Sep 8; 372(4): 804-810.
Impact Factor: 2.648
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Ruvo M, Marasco D, Viparelli F, Tornatore L, Sandomenico A, Doti N, Pedone C, Benedetti E, Monti SM
* Peptide antagonists of protein-protein interactions identified by screening protein fragments derived by enzyme degradation (349 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): N/D-N/D.
Impact Factor: 1.654
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De Simone A, Vitagliano L, Berisio R
* Role of hydration in collagen triple helix stabilization (379 views)
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.
Impact Factor: 2.648
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Esposito C, Pethoukov MV, Svergun DI, Ruggiero A, Pedone C, Pedone E, Berisio R
* Evidence for an elongated dimeric structure of heparin-binding hemagglutinin from Mycobacterium tuberculosis (460 views)
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2008 Jul; 190(13): 4749-4753.
Impact Factor: 3.636
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D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (823 views)
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
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Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (416 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
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Vitiello M, Galdiero S, D'Isanto M, D'Amico M, Di Filippo C, Cantisani M, Galdiero M, Pedone C
* Pathophysiological changes of gram-negative bacterial infection can be reproduced by a synthetic peptide mimicking loop L7 sequence of Haemophilus influenzae porin (323 views)
Microbes And Infection / Institut Pasteur (ISSN: 1286-4579), 2008 May; 10(6): 657-663.
Impact Factor: 2.801
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Limauro D, Pedone E, Galdi I, Bartolucci S
* Peroxiredoxins as cellular guardians in Sulfolobus solfataricus - characterization of Bcp1, Bcp3 and Bcp4 (366 views)
Febs Journal (ISSN: 1742-464x), 2008 May; 275(9): 2067-2077.
Impact Factor: 3.139
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Stability Against Temperature Of Sulfolobus Solfataricus Elongation Factor 1 Alpha, A Multi-Domain Protein (372 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Apr; 1784(4): 573-581.
Impact Factor: 2.233
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De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (503 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
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Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (398 views)
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
Impact Factor: 3.139
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (399 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
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Diana D, Ziaco B, Colombo G, Scarabelli G, Romanelli A, Fedone C, Fattorusso R, D'Andrea LD
* Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide (470 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2008; 14(14): 4164-4166.
Impact Factor: 5.454
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (608 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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Malgieri G, Russo L, Esposito S, Baglivo I, Zaccaro L, Pedone EM, Di Blasio B, Isernia C, Pedone PV, Fattorusso R
* The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain (462 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007 Oct 30; 104(44): 17341-17346.
Impact Factor: 9.598
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Ruggiero A, Tizzano B, Geerlof A, Pedone E, Pedone C, Wilmanns M, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a resuscitation-promoting factor from Mycobacterium tuberculosis (387 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2007 Oct 1; 63(10): 870-873.
Impact Factor: 0.645
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Pastore C, Franzese M, Sica F, Temussi P, Pastore A
* Understanding the binding properties of an unusual metal-binding protein - a study of bacterial frataxin (408 views)
Febs Journal (ISSN: 1742-464x), 2007 Sep; 274(16): 4199-4210.
Impact Factor: 3.396
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Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (290 views)
Chem Phys Lett (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
Impact Factor: 2.207
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Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (335 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (447 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
Impact Factor: 4.472
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Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (512 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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Galdiero S, Galdiero M, Pedone C
* Beta-Barrel Membrane Bacterial Proteins: Structure, Function, Assembly And Interaction With Lipids (438 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2007 Feb; 8(1): 63-82.
Impact Factor: 3.259
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Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (281 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
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Pappalardo M, Milardi D, Grasso D, La Rosa C
* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (338 views)
New J Chem (ISSN: 1144-0546), 2007; 31(6): 901-905.
Impact Factor: 2.651
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Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (400 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (365 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Saporito A, Marasco D, Chambery A, Botti P, Monti SM, Pedone C, Ruvo M
* The chemical synthesis of the GstI protein by NCL on a X-Met site (642 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Dec 5; 83(5): 508-518.
Impact Factor: 2.48
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Pedone E, Limauro D, D'Alterio R, Rossi M, Bartolucci S
* Characterization of a multifunctional protein disulfide oxidoreductase from Sulfolobus solfataricus (328 views)
Febs Journal (ISSN: 1742-464x), 2006 Dec; 273(23): 5407-5420.
Impact Factor: 3.033
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Berisio R, Corti N, Pfister P, Yonath A, Böttger EC
* 23S rRNA 2058A→G alteration mediates ketolide resistance in combination with deletion in L22 (400 views)
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2006 Nov; 50(11): 3816-3823.
Impact Factor: 4.153
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Esposito S, Baglivo I, Malgieri G, Russo L, Zaccaro L, D'Andrea LD, Mammucari M, Di Blasio B, Isernia C, Fattorusso R, Pedone PV
* A novel type of zinc finger DNA binding domain in the Agrobacterium tumefaciens transcriptional regulator Ros (587 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Sep 29; 45(34): 10394-10405.
Impact Factor: 3.633
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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (727 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (351 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (339 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (314 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
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Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (580 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (504 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
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Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (514 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (614 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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Limauro D, Pedone E, Pirone L, Bartolucci S
* Identification and characterization of 1-Cys peroxiredoxin from Sulfolobus solfataricus and its involvement in the response to oxidative stress (362 views)
Febs Journal (ISSN: 1742-464x), 2006 Feb; 273(4): 721-731.
Impact Factor: 3.033
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D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
* Peptide-based molecules in angiogenesis (827 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.
Impact Factor: 2.507
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Chemical Denaturation Of The Elongation Factor 1 Alpha Isolated From The Hyperthermophilic Archaeon Sulfolobus Solfataricus (343 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Jan 24; 45(3): 719-726.
Impact Factor: 3.633
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (272 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (318 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (441 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (438 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (509 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
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Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (602 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (375 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (427 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus (354 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.
Impact Factor: 1.693
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (478 views)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
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Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (328 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (491 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (306 views)
Chem Phys Lett (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
Impact Factor: 2.438
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Galdiero S, Gouaux E
* High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions (320 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.
Impact Factor: 4.116
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Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (438 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
Impact Factor: 4.008
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (373 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
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Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (295 views)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
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Musumeci D, Roviello GN, Sica D
* The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4 (386 views)
Steroids (ISSN: 0039-128x), 2004 Mar; 69(3): 173-179.
Impact Factor: 2.337
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Grasso D, Milardi D, La Rosa C, Rizzarelli E
* The different role of Cu++ and Zn++ ions in affecting the interaction of prion peptide PrP106-126 with model membranes (283 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2004 Jan 21; 10(2): 246-247.
Impact Factor: 3.997
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (405 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
* The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C (623 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2004; 12(2): 237-248.
Impact Factor: 5.185
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Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus (499 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.
Impact Factor: 3.922
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (386 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
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Pedone E, Bartolucci S, Rossi M, Pierfederici FM, Scire A, Cacciamani T, Tanfani F
* Structural and thermal stability analysis of Escherichia coli and Alicyclobacillus acidocaldarius thioredoxin revealed a molten globule-like state in thermal denaturation pathway of the proteins: an infrared spectroscopic study (536 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2003 Sep 1; 373: 875-883.
Impact Factor: 4.101
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Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
* Ribosomal crystallography: Peptide bond formation and its inhibition (544 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.
Impact Factor: 2.733
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Galdiero S, Capasso D, Vitiello M, D'Isanto M, Pedone C, Galdiero M
* Protein P2 from Haemophilus influenzae: The role of its surface exposed loops on the mitogen-activated protein kinase cascade (376 views)
Infection And Immunity (ISSN: 0019-9567), 2003 May; 71(5): 2798-2809.
Impact Factor: 3.875
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (381 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (349 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
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Bashan A, Agmon I, Zarivach R, Schluenzen F, Harms J, Berisio R, Bartels H, Franceschi F, Auerbach T, Hansen HAS, Kossoy E, Kessler M, Yonath A
* Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression (461 views)
Mol Cell (ISSN: 1097-2765, 1097-4164), 2003 Jan; 11(1): 91-102.
Impact Factor: 16.835
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (383 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (391 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (411 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
* Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance (309 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.
Impact Factor: 3.912
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Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (435 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
Impact Factor: 5.359
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Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site (489 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.
Impact Factor: 4.238
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
* Reversible substrate-induced domain motions in ribonuclease (336 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.
Impact Factor: 4.096
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (431 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (424 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (443 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
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Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (463 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.
Impact Factor: 4.614
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (380 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine (460 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.
Impact Factor: 1.5
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Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides (454 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.
Impact Factor: 1.311
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Lombardi A, D'Auria G, Maglio O, Nastri F, Quartara L, Pedone C, Pavone V
A novel rigid β-turn molecular scaffold (454 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1998; 120(24): 5879-5886.
Impact Factor: 5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (418 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
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D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide (381 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (455 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe (400 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI (463 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (455 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (581 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
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Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (560 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
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Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (443 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
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Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy (537 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.
Impact Factor: 4.572
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* Interaction of Laurusides 1 and 2 with the 3C-like Protease (Mpro) from Wild-Type and Omicron Variant of SARS-CoV-2: A Molecular Dynamics Study (5 views)
International Journal Of Molecular Sciences, 2023 Mar; 25: 5511-5511.
Impact Factor: 6.208
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Berisio R, Delogu G
* PGRS domain structures: Doomed to sail the mycomembrane (11 views)
Plos Pathog (ISSN: 1553-7366linking), 2022 Sep 1; 18(9): e1010760-N/D.
Impact Factor: 7.5
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Segalina A, Aranda D, Green JA, Cristino V, Caramori S, Prampolini G, Pastore M, Santoro F
* How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach (9 views)
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Impact Factor: 6
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Dennehy R, Duggan N, Dignam S, Mccormack S, Dillon E, Molony J, Romano M, Hou Y, Ardill L, Whelan MVX, Drulis-kawa Z, Ó , #xcróinín T, Valvano MA, Berisio R, Mcclean S
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Impact Factor: 3.48
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Squeglia F, Marasco D, Ruggiero A, Testa G, Esposito L, Berisio R
* Structural and Binding Properties of the Active Cell Wall Hydrolase RipA from M. tuberculosis, a Promising Biosensing Molecule for Early Warning Bacterial Detection (5 views)
Curr Med Chem (ISSN: 0929-8673linking), 2022; 29(24): 4282-4292.
Impact Factor: 4.74
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Diaferia C, Rosa E, Balasco N, Sibillano T, Morelli G, Giannini C, Vitagliano L, Accardo A
* The introduction of a cysteine residue modulates the mechanical properties of aromatic-based solid aggregates and self-supporting hydrogels (20 views)
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Asha H, Green JA, Martinez-fernandez L, Esposito L, Improta R
* Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States (13 views)
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Impact Factor: 4.411
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Troisi R, Balasco N, Santamaria A, Vitagliano L, Sica F
* Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human α-thrombin (26 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 Jun 30; 181: 858-867.
Impact Factor: 5.162
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Di Gaetano S, Capasso D, Delre P, Pirone L, Saviano M, Pedone E, Mangiatordi GF
* More Is Always Better Than One: The N-Terminal Domain of the Spike Protein as Another Emerging Target for Hampering the SARS-CoV-2 Attachment to Host Cells (27 views)
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Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
* Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? (26 views)
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Impact Factor: 7.271
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Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F, Roviello GN, Mocci F
* Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA (25 views)
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Farina B, Andrea C, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Paladino A, Acconcia C, Teresa Gentile M, Saviano M, Fattorusso R, Zaccaro L, Russo L
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Marchesani F, Gianquinto E, Autiero I, Michielon A, Campanini B, Faggiano S, Bettati S, Mozzarelli A, Spyrakis F, Bruno S
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Platella C, Napolitano E, Riccardi C, Musumeci D, Montesarchio D
* Disentangling the Structure-Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs (12 views)
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Impact Factor: 7.446
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Troisi R, Balasco N, Vitagliano L, Sica F
* Molecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exosites (65 views)
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Impact Factor: 4.986
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Kramarska E, Squeglia F, De Maio F, Delogu G, Berisio R
* PE_PGRS33, an Important Virulence Factor of Mycobacterium tuberculosis and Potential Target of Host Humoral Immune Response (19 views)
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Vincenzi M, Mercurio FA, Leone M
* Protein Interaction Domains: structural features and drug discovery applications (part 2) (79 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021; 28(5): 854-892.
Impact Factor: 4.184
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Tornatore L, Capece D, Sandomenico A, Verzella D, Vecchiotti D, Zazzeroni F, Ruvo M, Franzoso G
* The Screening of Combinatorial Peptide Libraries for Targeting Key Molecules or Protein-Protein Interactions in the NF-κB Pathway (8 views)
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Impact Factor: 1.17
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Moccia M, Mercurio FA, Langella E, Piacenti V, Leone M, Adamo MFA, Saviano M
* Structural Insights on Tiny Peptide Nucleic Acid (PNA) Analogues of miRNA-34a: An in silico and Experimental Integrated Approach (74 views)
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Impact Factor: 3.693
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Ronda L, Tonelli A, Sogne E, Autiero I, Spyrakis F, Pellegrino S, Abbiati G, Maffioli E, Schulte C, Piano R, Cozzini P, Mozzarelli A, Bettati S, Clerici F, Milani P, Lenardi C, Tedeschi G, Gelmi ML
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Impact Factor: 3.275
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D'Abrosca G, Paladino A, Baglivo I, Russo L, Sassano M, Grazioso R, Iacovino R, Pirone L, Pedone E, Pedone P, Isernia C, Fattorusso R, Malgieri G
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Impact Factor: 4.011
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Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A, Pirone L, Pedone E, Peiretti F, Brunel JM, Itoh T, Pochetti G
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Impact Factor: 6.205
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Doti N, Caporale A, Monti A, Sandomenico A, Selis F, Ruvo M
* A recent update on the use of microbial transglutaminase for the generation of biotherapeutics (88 views)
World J Microbiol Biotechnol (ISSN: 0959-3993linking), 2020 Mar 14; 36(4): 53-53.
Impact Factor: 2.477
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Mercurio FA, Di Natale C, Pirone L, Vincenzi M, Marasco D, De Luca S, Pedone EM, Leone M
* Exploring the ability of cyclic peptides to target SAM domains: a computational and experimental study (266 views)
Chembiochem (ISSN: 1439-4227linking, 1439-7633), 2020 Mar 2; 21(5): 702-711.
Impact Factor: 2.641
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La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
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Eur Biophys J (ISSN: 0175-7571linking, 1432-1017), 2020 Mar; 49(2): 175-191.
Impact Factor: 2.094
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Vincenzi M, Mercurio FA, Leone M
* Sam Domains in Multiple Diseases (237 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2020; 27(3): 450-476.
Impact Factor: 3.469
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Piacenti V, Langella E, Autiero I, Nolan JC, Piskareva O, Adamo MFA, Saviano M, Moccia M
* A combined experimental and computational study on peptide nucleic acid (PNA) analogues of tumor suppressive miRNA-34a (221 views)
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Oct; 91: 103165-103165.
Impact Factor: 3.9
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Iaccarino E, Sandomenico A, Corvino G, Foca G, Severino V, Russo R, Caporale A, Raimondo D, D'Abramo M, Alba J, Chambery A, Ruvo M
* Investigating the oxidative refolding mechanism of Cripto-1 CFC domain (320 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Sep 15; 137: 1179-1189.
Impact Factor: 4.784
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Balasco N, Smaldone G, Vitagliano L
* The Structural Versatility of the BTB Domains of KCTD Proteins and Their Recognition of the GABA(B) Receptor (76 views)
Biomolecules (ISSN: 2218-273xlinking), 2019 Jul 31; 9 (8 ): N/D-N/D.
Impact Factor: 2.095
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Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
* Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera (292 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.
Impact Factor: 4.784
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Squeglia F, Moreira M, Ruggiero A, Berisio R
* The Cell Wall Hydrolytic NlpC/P60 Endopeptidases in Mycobacterial Cytokinesis: A Structural Perspective (217 views)
Cells (ISSN: 2073-4409linking, 2073-4409electronic), 2019 Jun 18; 8(6): N/D-N/D.
Impact Factor: 5.7
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Pirone L, Pitzer JE, D'Abrosca G, Fattorusso R, Malgieri G, Pedone EM, Pedone PV, Roop RM, Baglivo I
* Identifying the region responsible for Brucella abortus MucR higher-order oligomer formation and examining its role in gene regulation (180 views)
Sci Rep (ISSN: 2045-2322electronic, 2045-2322linking), 2018 Nov 22; 8(1): 17238-17238.
Impact Factor: 5.078
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De Maio F, Squeglia F, Goletti D, Delogu G
* The Mycobacterial HBHA Protein: a Promising Biomarker for Tuberculosis (208 views)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2018 Oct 29; 26(11): 2051-2060.
Impact Factor: 3.519
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Calvanese L, Falcigno L, Squeglia F, Berisio R, D'Auria G
* PASTA sequence composition is a predictive tool for protein class identification (205 views)
Amino Acids (ISSN: 1438-2199electronic, 0939-4451linking), 2018 Oct; 50(10): 1441-1450.
Impact Factor: 4.106
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Scollo F, Tempra C, Lolicato F, Sciacca MFM, Raudino A, Milardi D, La Rosa C
* Phospholipids Critical Micellar Concentrations Trigger Different Mechanisms of Intrinsically Disordered Proteins Interaction with Model Membranes (420 views) (PDF 117 views)
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking), 2018 Sep 6; 9(17): 5125-5129.
Impact Factor: 6.687
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Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (317 views)
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.
Impact Factor: 6.721
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Balasco N, Barone D, Iaccarino E, Sandomenico A, De Simone A, Ruvo M, Vitagliano L
* Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein (269 views)
Int J Biol Macromol (ISSN: 1879-0003electronic, 0141-8130linking), 2018 Sep; 116: 620-632.
Impact Factor: 1.427
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Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
* Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation (190 views)
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Impact Factor: 1.908
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Diaferia C, Balasco N, Sibillano T, Giannini C, Vitagliano L, Morelli G, Accardo A
* Structural Characterization of Self-Assembled Tetra-Tryptophan Based Nanostructures: Variations on a Common Theme (76 views)
Chemphyschem (ISSN: 1439-4235linking, 1439-7641), 2018 Jul 5; 19 (13 ): 1635-1642.
Impact Factor: 3.502
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Smaldone G, Berisio R, Balasco N, D'Auria S, Vitagliano L, Ruggiero A
* Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization (248 views)
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Impact Factor: 2.773
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Martinez-fernandez L, Improta R
* Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides (239 views)
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking), 2018 May 16; 17(5): 586-591.
Impact Factor: 2.939
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Diaferia C, Balasco N, Sibillano T, Ghosh M, Adler-abramovich L, Giannini C, Vitagliano L, Morelli G, Accardo A
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Impact Factor: 5.476
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Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (303 views)
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Impact Factor: 3.687
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Autiero I, Ruvo M, Improta R, Vitagliano L
* The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition (231 views)
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Impact Factor: 3.829
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Squeglia F, Berisio R, Ruggiero A
* The novel thermostable cellulose-degrading enzyme DtCel5H from Dictyoglomus thermophilum: crystallization and X-ray crystallographic analysis (335 views)
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Impact Factor: 0.8
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Fusco FA, Ronca R, Fiorentino G, Pedone E, Contursi P, Bartolucci S, Limauro D
* Biochemical characterization of a thermostable endomannanase/endoglucanase from Dictyoglomus turgidum (449 views)
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Impact Factor: 2
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Farina B, Sturlese M, Mascanzoni F, Caporale A, Monti A, Sorbo GD, Fattorusso R, Ruvo M, Doti N
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Impact Factor: 4.897
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Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A
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Impact Factor: 5.207
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Calvanese L, Caporale A, Focà G, Iaccarino E, Sandomenico A, Doti N, Apicella I, Incisivo GM, De Falco S, Falcigno L, D’auria G, Ruvo M
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Impact Factor: 2.906
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Baglivo I, Pirone L, Pedone E, Pitzer JE, Muscariello L, Marino MM, Malgieri G, Freschi A, Chambery A, Roop Ii RM, Pedone PV
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Impact Factor: 4.122
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Mercurio FA, Costantini S, Di Natale C, Pirone L, Guariniello S, Scognamiglio PL, Marasco D, Pedone EM, Leone M
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Impact Factor: 4.28
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
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Impact Factor: 3.107
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Dennehy R, RomanoM, Ruggiero A, Mohamed YF, Dignam SL, Mujica Troncoso C, Callaghan M, Valvano MA, Berisio R, Mcclean S
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Impact Factor: 4.41
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Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M, Iaccarino E, Ruvo M, Dias-baruffi M, Carvalho I
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Impact Factor: 2.774
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Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (363 views)
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Impact Factor: 5.16
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
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Impact Factor: 4.722
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Lanza V, Travaglia A, Malgieri G, Fattorusso R, GrassoG, Di Natale G, Zito V, Arena G, Milardi D, Rizzarelli E
* Ubiquitin Associates with the N-Terminal Domain of Nerve Growth Factor: The Role of Copper(II) Ions (279 views) (PDF 172 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Dec 05; 22(49): 17767-17775.
Impact Factor: 5.317
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (301 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.
Impact Factor: 3.123
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Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V, Vitagliano L, Morelli G, Accardo A
* Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures (389 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.
Impact Factor: 5.317
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Pirone L, Smaldone G, Esposito C, Balasco N, Petoukhov MV, Spilotros A, Svergun DI, Di Gaetano S, Vitagliano L, Pedone E
* Proteins involved in sleep homeostasis: Biophysical characterization of INC and its partners (323 views) (PDF 192 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2016 Sep 24; 131: 106-114.
Impact Factor: 3.112
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Barone D, Balasco N, Vitagliano L
* KCTD5 is endowed with large, functionally relevant, interdomain motions (235 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Aug; 34(8): 1725-1735.
Impact Factor: 3.123
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Smaldone G, Vigorita M, Ruggiero A, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G, Vitagliano L
* Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein (306 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2016 Jul; 1864(7): 814-824.
Impact Factor: 4.932
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Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
* Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide (382 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2015 Nov 25; 5: 16651-16651.
Impact Factor: 5.228
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Bottini A, Wu B, Barile E, De SK, Leone M, Pellecchia M
* High-Throughput Screening (HTS) by NMR Guided Identification of Novel Agents Targeting the Protein Docking Domain of YopH (422 views)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7179linking), 2015 Nov 23; 11(8): 919-927.
Impact Factor: 2.98
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Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
* Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode (83 views)
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.
Impact Factor: 4.351
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
* The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains (328 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2015 Nov 5; 1860(2): 445-451.
Impact Factor: 4.864
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Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (571 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
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Smaldone G, Pirone L, Balasco N, Di Gaetano S, Pedone E, Vitagliano L
* Cullin 3 recognition is not a universal property among KCTD proteins (565 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 May 14; 10(5): e0126808-e0126808.
Impact Factor: 3.057
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De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (568 views) (PDF 44 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
* A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria (482 views)
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.
Impact Factor: 4.237
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Calvanese L, Falcigno L, D'Auria G
* Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin (403 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2015 Mar; 103(3): 158-166.
Impact Factor: 2.248
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Autiero I, Saviano M, Langella E
* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (473 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.
Impact Factor: 3.902
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Balasco N, Barone D, Vitagliano L
* Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations (432 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2015 Jan 12; 33(10): 2173-2179.
Impact Factor: 2.3
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Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C, Fagoonee S, Altruda F, Aberdam D, Brissette JL, Missero C
* A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms (832 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2015 Jan; 43(2): 862-874.
Impact Factor: 9.202
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Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (449 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
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Calce E, Vitale RM, Scaloni A, Amodeo P, De Luca S
* Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides (597 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; 47(8): 1507-1515.
Impact Factor: 3.196
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Vincenzi M, Costantini S, Scala S, Tesauro D, Accardo A, Leone M, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L, Rossi F
* Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4 (528 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(6): 12159-12173.
Impact Factor: 3.257
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Yousif AM, Minopoli M, Bifulco K, Ingangi V, Di Carluccio G, Merlino F, Motti ML, Grieco P, Carriero MV
* Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes (423 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(5): N/D-N/D.
Impact Factor: 3.057
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Vitiello G, Falanga A, Petruk AA, Merlino A, Fragneto G, Paduano L, Galdiero S, D'Errico G
* Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism (381 views)
Soft Matter (ISSN: 1744-683x), 2015; 11(15): 3003-3016.
Impact Factor: 3.798
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Carbonniere P, Pouchan C, Improta R
* Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study (341 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.
Impact Factor: 4.449
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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (426 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Lolicato F, Raudino A, Milardi D, La Rosa C
* Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study (544 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 92: 876-881.
Impact Factor: 3.902
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Russo L, Palmieri M, Caso JV, Abrosca GD, Diana D, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
* Towards understanding the molecular recognition process in prokaryotic zinc-finger domain (415 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
* Structural determinants in prion protein folding and stability (582 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking), 2014 Nov 11; 426(22): 3796-3810.
Impact Factor: 4.333
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Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
* Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin (434 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.
Impact Factor: 3.234
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Mercurio FA, Scognamiglio PL, Di Natale C, Marasco D, Pellecchia M, Leone M
* Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam (346 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.
Impact Factor: 2.385
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
* Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism (392 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.
Impact Factor: 3.234
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Vitale RM, Zaccaro L, Di Blasio B, Fattorusso R, Isernia C, Amodeo P, Pedone C, Saviano M
* Conformational features of human melanin-concentrating hormone: an NMR and computational analysis (457 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2014 Sep 17; 4(1): 73-81.
Impact Factor: 3.088
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Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (363 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
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Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (366 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
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Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
* Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides (1043 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014 Jun 23; 81: 442-455.
Impact Factor: 3.447
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Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
* A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima (437 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 May 15; 9(5): e96560-e96560.
Impact Factor: 3.234
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Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
* Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases (355 views)
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.
Impact Factor: 3.738
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Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
* The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41 (420 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.
Impact Factor: 4.573
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Palmieri M, Russo L, Malgieri G, Esposito S, Baglivo I, Rivellino A, Farina B, de Paola I, Zaccaro L, Milardi D, Isernia C, Pedone PV, Fattorusso R
* Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant (407 views)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2014 Feb; 131: 30-36.
Impact Factor: 3.444
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D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
* Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis (453 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
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Hayafune M, Berisio R, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S, Squeglia F, Ruggiero A, Tokuyasu K, Molinaro A, Kaku H, Shibuya N
* Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization (671 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.
Impact Factor: 9.674
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Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
* Adsorption of NGF and BDNF derived peptides on gold surfaces (492 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(4): 1536-1544.
Impact Factor: 4.493
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Lin L-L, Chen Y-Y, Chi M-C, Merlino A
* Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion (410 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.
Impact Factor: 4.882
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Autiero I, Saviano M, Langella E
* Molecular Dynamics Simulations Of Pna-Pna And Pna-Dna Duplexes By The Use Of New Parameters Implemented In The Gromacs Package: A Conformational And Dynamics Study (593 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(5): 1868-1874.
Impact Factor: 4.493
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Contursi P, Farina B, Pirone L, Fusco S, Russo L, Bartolucci S, Fattorusso R, Pedone E
* Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family (383 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2014; 42(9): 5993-6011.
Impact Factor: 9.112
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Malgieri G, Palmieri M, Esposito S, Maione V, Russo L, Baglivo I, De Paola I, Milardi D, Diana D, Zaccaro L, Pedone PV, Fattorusso R, Isernia C
* Zinc To Cadmium Replacement In The Prokaryotic Zinc-Finger Domain (458 views)
Metallomics (ISSN: 1756-591x, 1756-5901, 1756-591xelectronic), 2013 Dec 18; 6(1): 96-104.
Impact Factor: 3.978
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (594 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
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Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
* The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study (442 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print), 2013 Nov; 1828(11): 2637-2645.
Impact Factor: 3.498
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Del Giudice I, Limauro D, Pedone E, Bartolucci S, Fiorentino G
* A novel arsenate reductase from the bacterium Thermus thermophilus HB27: Its role in arsenic detoxification (420 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Oct; 1834(10): 2071-2079.
Impact Factor: 3.191
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Diana D, Smaldone G, De Antonellis P, Pirone L, Carotenuto M, Alonzi A, Di Gaetano S, Zollo M, Pedone E, Fattorusso R
* Mapping Functional Interaction Sites of Human Prune C-Terminal Domain by NMR Spectroscopy in Human Cell Lysates (389 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Sep 9; 19(37): 12217-12220.
Impact Factor: 5.696
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Alcides Petruk A, Vergara A, Estrin D, Merlino A
* Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study (393 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.
Impact Factor: 3.341
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Squeglia F, Bachert B, Romano M, Lukomski S, Berisio R
* Crystallization and preliminary X-ray crystallographic analysis of the variable domain of Scl2. 3, a streptococcal collagen-like protein from invasive M3-type Streptococcus pyogenes (369 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Sep; 69(9): 1023-1025.
Impact Factor: 0.568
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Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
* Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques (418 views)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.
Impact Factor: 2.095
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Correale S, Ruggiero A, Capparelli R, Pedone E, Berisio R
* Structures of free and inhibited forms of the L, D-transpeptidase LdtMt1 from Mycobacterium tuberculosis (398 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Sep; 69(Pt9): 1697-1706.
Impact Factor: 7.232
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Autiero I, Saviano M, Langella E
* In silico investigation and targeting of amyloid beta oligomers of different size (500 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic), 2013 Aug; 9(8): 2118-2124.
Impact Factor: 3.18
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Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
* Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses (441 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
Impact Factor: 3.832
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De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (608 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
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Attanasio F, Convertino M, Magno A, Caflisch A, Corazza A, Haridas H, Esposito G, Cataldo S, Pignataro B, Milardi D, Rizzarelli E
* Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster (697 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.
Impact Factor: 3.06
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Correale S, Ruggiero A, Pedone E, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the l, d-transpeptidase LdtMt1 from Mycobacterium tuberculosis (404 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Mar 1; 69(3): 253-256.
Impact Factor: 0.568
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Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
* Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis (408 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.
Impact Factor: 2.983
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Grasso G, Spoto G
* Plasmonics for the study of metal ion-protein interactions (414 views)
Anal Bioanal Chem (ISSN: 1618-2642), 2013 Feb; 405(6): 1833-1843.
Impact Factor: 3.578
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Mercurio FA, Marasco D, Pirone L, Scognamiglio PL, Pedone E, Pellecchia M, Leone M
* Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights (357 views)
Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633), 2013 Jan 2; 14(1): 100-106.
Impact Factor: 2.92
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Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (411 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
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Pica A, Russo Krauss I, Castellano I, La Cara F, Graziano G, Sica F, Merlino A
* Effect Of Nacl On The Conformational Stability Of The Thermophilic Gamma-Glutamyltranspeptidase From Geobacillus Thermodenitrificans: Implication For Globular Protein Halotolerance (334 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Jan; 1834(1): 149-157.
Impact Factor: 3.191
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
* Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage (728 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2013; 15(23): 8940-8951.
Impact Factor: 4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A, Galdiero S, D'Ursi A, Merlino A, D'Errico G
* Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36 (410 views)
Soft Matter (ISSN: 1744-683x), 2013; 9(28): 6442-6456.
Impact Factor: 4.151
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Lin LL, Merlino A
* Heterogeneous nucleation helps the search for initial crystallization conditions of γ-glutamyl transpeptidase from Bacillus licheniformis (280 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013; 69(6): 669-672.
Impact Factor: 0.568
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Autiero I, Langella E, Saviano M
* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (572 views)
Molecular Biosystems (ISSN: 1742-206x, 1742-2206), 2013; 9(11): 2835-2841.
Impact Factor: 3.18
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Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F
* Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model (325 views)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking), 2013; 163: 223-242.
Impact Factor: 4.194
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Berisio R, Vitagliano L
* Polyproline and triple helix motifs in Host-Pathogen recognition (764 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2012 Dec; 13(8): 855-865.
Impact Factor: 2.326
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Kaprelyants AS, Mukamolova GV, Ruggiero A, Makarov VA, Demina GR, Shleeva MO, Potapov VD, Shramko PA
* Resuscitation-promoting Factors (Rpf): In Search of Inhibitors (495 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1026-1034.
Impact Factor: 1.994
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Berisio R, Ciccarelli L, Squeglia F, De Simone A, Vitagliano L
* Structural and Dynamic properties of incomplete immunoglobulin-like fold domains (477 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.
Impact Factor: 1.994
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Stanzione F, De Simone A, Esposito L, Vitagliano L
* Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide (461 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.
Impact Factor: 1.994
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
* Interactions of two O-phosphorylresveratrol derivatives with model membranes (337 views)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
Impact Factor: 0
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Ascione G, de Pascale D, De Santi C, Pedone C, Dathan NA, Monti SM
* Native expression and purification of hormone-sensitive lipase from Psychrobacter sp. TA144 enhances protein stability and activity (509 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2012 Apr 13; 420(3): 542-546.
Impact Factor: 2.406
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (414 views)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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Pica A, Russo Krauss I, Castellano I, Rossi M, La Cara F, Graziano G, Sica F, Merlino A
* Exploring The Unfolding Mechanism Of Gamma-Glutamyltranspeptidases: The Case Of The Thermophilic Enzyme From Geobacillus Thermodenitrificans (396 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2012 Apr; 1824(4): 571-577.
Impact Factor: 3.733
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Balsamo A, Sannino F, Merlino A, Parrilli E, Tutino ML, Mazzarella L, Vergara A
* Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins (407 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.
Impact Factor: 3.142
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Esposito C, Cantisani M, D'Auria G, Falcigno L, Pedone E, Galdiero S, Berisio R
* Mapping key interactions in the dimerization process of HBHA from Mycobacterium tuberculosis, insights into bacterial agglutination (461 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2012 Mar 23; 586(6): 659-667.
Impact Factor: 3.582
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Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
* Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation (520 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.
Impact Factor: 5.614
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Merlino A, Russo Krauss I, Rossi B, De Vendittis A, Marco S, De Vendittis E, Vergara A, Sica F
* Identification of an active dimeric intermediate populated during the unfolding process of the cambialistic superoxide dismutase from Streptococcus mutans (353 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Mar; 94(3): 768-775.
Impact Factor: 3.142
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Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
* Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability (300 views)
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2012 Feb; 177(2): 506-512.
Impact Factor: 3.361
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (470 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M, Galdiero S
* Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity (510 views)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic), 2012; 7: 2361-2371.
Impact Factor: 3.463
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Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
* Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion (307 views)
Soft Matter (ISSN: 1744-683x), 2012; 8(1): 53-56.
Impact Factor: 3.909
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Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (287 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Ruggiero A, Dattelbaum JD, Pennacchio A, Iozzino L, Staiano M, Luchansky MS, Der BS, Berisio R, D'Auria S, Vitagliano L
* Crystallization and preliminary X-ray crystallographic analysis of ligand-free and arginine-bound forms of Thermotoga maritima arginine-binding protein (401 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Nov 1; 67(11): 1462-1465.
Impact Factor: 0.506
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Ruvo M, Sandomenico A, Tudisco L, De Falco S
* Branched peptides for the modulation of protein-protein interactions: More arms are better than one? (523 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2011 Jun; 18(16): 2429-2437.
Impact Factor: 4.859
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Vitagliano L, Berisio R, De Simone A
* Role of hydration in collagen recognition by bacterial adhesins (662 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.
Impact Factor: 3.653
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Contursi P, D'Ambrosio K, Pirone L, Pedone E, Aucelli T, She Q, De Simone G, Bartolucci S
* C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family (1011 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 157-166.
Impact Factor: 4.897
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Ruggiero A, Squeglia F, Marasco D, Marchetti R, Molinaro A, Berisio R
* X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus (510 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 33-41.
Impact Factor: 4.897
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Correale S, Pirone L, Di Marcotullio L, De Smaele E, Greco A, Mazzà D, Moretti M, Alterio V, Vitagliano L, Di Gaetano S, Gulino A, Pedone E
* Molecular organization of the cullin E3 ligase adaptor KCTD11 (435 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2011 Apr; 93(4): 715-724.
Impact Factor: 3.022
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Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (370 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
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Ruggiero A, Squeglia F, Pirone L, Correale S, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a major fragment of the resuscitation-promoting factor RpfB from Mycobacterium tuberculosis (407 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Jan 1; 67(1): 164-168.
Impact Factor: 0.506
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Milardi D, Sciacca MFM, Pappalardo M, Grasso DM, La Rosa C
* The Role Of Aromatic Side-Chains In Amyloid Growth And Membrane Interaction Of The Islet Amyloid Polypeptide Fragment Lanflvh (457 views)
Eur Biophys J, 2011 Jan; 40(1): 1-12.
Impact Factor: 3.832
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Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (373 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
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Merlino A, Russo Krauss I, Castellano I, De Vendittis E, Rossi B, Conte M, Vergara A, Sica F
* Structure and flexibility in cold-adapted iron superoxide dismutases: The case of the enzyme isolated from Pseudoalteromonas haloplanktis (497 views)
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2010 Dec; 172(3): 343-352.
Impact Factor: 3.5
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D'Auria G, Esposito C, Falcigno L, Calvanese L, Iaccarino E, Ruggiero A, Pedone C, Pedone E, Berisio R
* Dynamical properties of cold shock protein A from Mycobacterium tuberculosis (321 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2010 Nov 26; 402(4): 693-698.
Impact Factor: 2.595
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Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S
* Multiple catalytically active thioredoxin folds: a winning strategy for many functions (710 views)
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.
Impact Factor: 7.047
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Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
* Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors (440 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2010 Oct 6; 99(7): 2273-2278.
Impact Factor: 4.218
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Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (373 views)
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
Impact Factor: 3.787
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Farina B, Pirone L, Russo L, Viparelli F, Doti N, Pedone C, Pedone E, Fattorusso R
* NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites (674 views)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
Impact Factor: 3.129
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Ruggiero A, Marasco D, Squeglia F, Soldini S, Pedone E, Pedone C, Berisio R
* Structure and functional regulation of RipA, a mycobacterial enzyme essential for daughter cell separation (419 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2010 Sep 8; 18(9): 1184-1190.
Impact Factor: 6.337
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Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (280 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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Leone M, Barile E, Vazquez J, Mei A, Guiney D, Dahl R, Pellecchia M
* NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH (519 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.
Impact Factor: 2.527
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Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (301 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
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Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (461 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
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Pennacchio A, Giordano A, Esposito L, Langella E, Rossi M, Raia CA
* Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity (453 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Apr; 17(4): 437-443.
Impact Factor: 1.849
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Severino V, Chambery A, Vitiello M, Cantisani M, Galdiero S, Galdiero M, Malorni L, Di Maro A, Parente A
* Proteomic Analysis of Human U937 Cell Line Activation Mediated by Haemophilus influenzae Type b P2 Porin and Its Surface-Exposed Loop (460 views)
J Proteome Res (ISSN: 1535-3893), 2010 Feb; 9(2): 1050-1062.
Impact Factor: 5.46
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Ruggiero A, Squeglia F, Esposito C, Marasco D, Pedone E, Pedone C, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the resuscitation promoting factor interacting protein RipA from M. tuberculosis (348 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Jan; 17(1): 70-73.
Impact Factor: 1.849
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Luchansky MS, Der BS, D'Auria S, Pocsfalvi G, Iozzino L, Marasco D, Dattelbaum JD
* Amino acid transport in thermophiles: characterization of an arginine-binding protein in Thermotoga maritima (551 views)
Molecular Biosystems (ISSN: 1742-206x), 2010; 6(1): 142-151.
Impact Factor: 3.825
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Sciacca MFM, Pappalardo M, Attanasio F, Milardi D, La Rosa C, Grasso DM
* Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP(12-18) and IAPP(21-27) peptides (401 views)
New J Chem (ISSN: 1144-0546), 2010; 34(2): 200-207.
Impact Factor: 2.631
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (337 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Vitagliano L, Stanzione F, De Simone A, Esposito L
* Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (549 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
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D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
* Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus (469 views)
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.
Impact Factor: 3.085
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Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (381 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
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Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (470 views)
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.
Impact Factor: 3.871
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Sandomenico A, Monti SM, Sabatella M, De Capua A, Tornatore L, Doti N, Viparelli F, Dathan NA, Pedone C, Ruvo M, Marasco D
* Protein-protein interactions: a simple strategy to identify binding sites and peptide antagonists (558 views)
Chem Biol Drug Des (ISSN: 1747-0285, 1747-0277), 2009 May; 73(5): 483-493.
Impact Factor: 2.473
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (708 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Ruggiero A, Tizzano B, Pedone E, Pedone C, Wilmanns M, Berisio R
* Crystal Structure of the Resuscitation-Promoting Factor (Delta DUF)RpfB from M. tuberculosis (571 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009 Jan 9; 385(1): 153-162.
Impact Factor: 3.871
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Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
* First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop (396 views)
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.
Impact Factor: 5.132
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Vitagliano L, Esposito L, Pedone C, De Simone A
* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (626 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
Impact Factor: 2.648
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion proteins leading to neurodegeneration (420 views)
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
Impact Factor: 4.132
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Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (446 views)
Chem Phys Lett (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
Impact Factor: 2.169
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (362 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (488 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Conformational states and association mechanism of Yersinia pestis Caf1 subunits (322 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2008 Sep 8; 372(4): 804-810.
Impact Factor: 2.648
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Ruvo M, Marasco D, Viparelli F, Tornatore L, Sandomenico A, Doti N, Pedone C, Benedetti E, Monti SM
* Peptide antagonists of protein-protein interactions identified by screening protein fragments derived by enzyme degradation (349 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2008 Sep; 14(8): N/D-N/D.
Impact Factor: 1.654
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De Simone A, Vitagliano L, Berisio R
* Role of hydration in collagen triple helix stabilization (379 views)
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.
Impact Factor: 2.648
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Esposito C, Pethoukov MV, Svergun DI, Ruggiero A, Pedone C, Pedone E, Berisio R
* Evidence for an elongated dimeric structure of heparin-binding hemagglutinin from Mycobacterium tuberculosis (460 views)
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2008 Jul; 190(13): 4749-4753.
Impact Factor: 3.636
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D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (823 views)
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
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Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (416 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
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Vitiello M, Galdiero S, D'Isanto M, D'Amico M, Di Filippo C, Cantisani M, Galdiero M, Pedone C
* Pathophysiological changes of gram-negative bacterial infection can be reproduced by a synthetic peptide mimicking loop L7 sequence of Haemophilus influenzae porin (323 views)
Microbes And Infection / Institut Pasteur (ISSN: 1286-4579), 2008 May; 10(6): 657-663.
Impact Factor: 2.801
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Limauro D, Pedone E, Galdi I, Bartolucci S
* Peroxiredoxins as cellular guardians in Sulfolobus solfataricus - characterization of Bcp1, Bcp3 and Bcp4 (366 views)
Febs Journal (ISSN: 1742-464x), 2008 May; 275(9): 2067-2077.
Impact Factor: 3.139
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Stability Against Temperature Of Sulfolobus Solfataricus Elongation Factor 1 Alpha, A Multi-Domain Protein (372 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Apr; 1784(4): 573-581.
Impact Factor: 2.233
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De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (503 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
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Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (398 views)
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
Impact Factor: 3.139
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (399 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
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Diana D, Ziaco B, Colombo G, Scarabelli G, Romanelli A, Fedone C, Fattorusso R, D'Andrea LD
* Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide (470 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2008; 14(14): 4164-4166.
Impact Factor: 5.454
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (608 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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Malgieri G, Russo L, Esposito S, Baglivo I, Zaccaro L, Pedone EM, Di Blasio B, Isernia C, Pedone PV, Fattorusso R
* The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain (462 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007 Oct 30; 104(44): 17341-17346.
Impact Factor: 9.598
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Ruggiero A, Tizzano B, Geerlof A, Pedone E, Pedone C, Wilmanns M, Berisio R
* Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a resuscitation-promoting factor from Mycobacterium tuberculosis (387 views)
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2007 Oct 1; 63(10): 870-873.
Impact Factor: 0.645
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Pastore C, Franzese M, Sica F, Temussi P, Pastore A
* Understanding the binding properties of an unusual metal-binding protein - a study of bacterial frataxin (408 views)
Febs Journal (ISSN: 1742-464x), 2007 Sep; 274(16): 4199-4210.
Impact Factor: 3.396
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Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (290 views)
Chem Phys Lett (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
Impact Factor: 2.207
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Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (335 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (447 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
Impact Factor: 4.472
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Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (512 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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Galdiero S, Galdiero M, Pedone C
* Beta-Barrel Membrane Bacterial Proteins: Structure, Function, Assembly And Interaction With Lipids (438 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2007 Feb; 8(1): 63-82.
Impact Factor: 3.259
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Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (281 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
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Pappalardo M, Milardi D, Grasso D, La Rosa C
* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (338 views)
New J Chem (ISSN: 1144-0546), 2007; 31(6): 901-905.
Impact Factor: 2.651
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Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (400 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (365 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Saporito A, Marasco D, Chambery A, Botti P, Monti SM, Pedone C, Ruvo M
* The chemical synthesis of the GstI protein by NCL on a X-Met site (642 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Dec 5; 83(5): 508-518.
Impact Factor: 2.48
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Pedone E, Limauro D, D'Alterio R, Rossi M, Bartolucci S
* Characterization of a multifunctional protein disulfide oxidoreductase from Sulfolobus solfataricus (328 views)
Febs Journal (ISSN: 1742-464x), 2006 Dec; 273(23): 5407-5420.
Impact Factor: 3.033
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Berisio R, Corti N, Pfister P, Yonath A, Böttger EC
* 23S rRNA 2058A→G alteration mediates ketolide resistance in combination with deletion in L22 (400 views)
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2006 Nov; 50(11): 3816-3823.
Impact Factor: 4.153
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Esposito S, Baglivo I, Malgieri G, Russo L, Zaccaro L, D'Andrea LD, Mammucari M, Di Blasio B, Isernia C, Fattorusso R, Pedone PV
* A novel type of zinc finger DNA binding domain in the Agrobacterium tumefaciens transcriptional regulator Ros (587 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Sep 29; 45(34): 10394-10405.
Impact Factor: 3.633
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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (727 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (351 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (339 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (314 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
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Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (580 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (504 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
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Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (514 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (614 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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Limauro D, Pedone E, Pirone L, Bartolucci S
* Identification and characterization of 1-Cys peroxiredoxin from Sulfolobus solfataricus and its involvement in the response to oxidative stress (362 views)
Febs Journal (ISSN: 1742-464x), 2006 Feb; 273(4): 721-731.
Impact Factor: 3.033
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D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
* Peptide-based molecules in angiogenesis (827 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.
Impact Factor: 2.507
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Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
* Chemical Denaturation Of The Elongation Factor 1 Alpha Isolated From The Hyperthermophilic Archaeon Sulfolobus Solfataricus (343 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Jan 24; 45(3): 719-726.
Impact Factor: 3.633
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (272 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (318 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (441 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (438 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (509 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
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Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (602 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (375 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (427 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus (354 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.
Impact Factor: 1.693
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (478 views)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
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Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (328 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (491 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (306 views)
Chem Phys Lett (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
Impact Factor: 2.438
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Galdiero S, Gouaux E
* High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions (320 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.
Impact Factor: 4.116
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Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (438 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
Impact Factor: 4.008
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (373 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
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Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (295 views)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
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Musumeci D, Roviello GN, Sica D
* The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4 (386 views)
Steroids (ISSN: 0039-128x), 2004 Mar; 69(3): 173-179.
Impact Factor: 2.337
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Grasso D, Milardi D, La Rosa C, Rizzarelli E
* The different role of Cu++ and Zn++ ions in affecting the interaction of prion peptide PrP106-126 with model membranes (283 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2004 Jan 21; 10(2): 246-247.
Impact Factor: 3.997
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (405 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
* The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C (623 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2004; 12(2): 237-248.
Impact Factor: 5.185
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Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus (499 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.
Impact Factor: 3.922
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (386 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
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Pedone E, Bartolucci S, Rossi M, Pierfederici FM, Scire A, Cacciamani T, Tanfani F
* Structural and thermal stability analysis of Escherichia coli and Alicyclobacillus acidocaldarius thioredoxin revealed a molten globule-like state in thermal denaturation pathway of the proteins: an infrared spectroscopic study (536 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2003 Sep 1; 373: 875-883.
Impact Factor: 4.101
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Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
* Ribosomal crystallography: Peptide bond formation and its inhibition (544 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.
Impact Factor: 2.733
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Galdiero S, Capasso D, Vitiello M, D'Isanto M, Pedone C, Galdiero M
* Protein P2 from Haemophilus influenzae: The role of its surface exposed loops on the mitogen-activated protein kinase cascade (376 views)
Infection And Immunity (ISSN: 0019-9567), 2003 May; 71(5): 2798-2809.
Impact Factor: 3.875
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (381 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (349 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
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Bashan A, Agmon I, Zarivach R, Schluenzen F, Harms J, Berisio R, Bartels H, Franceschi F, Auerbach T, Hansen HAS, Kossoy E, Kessler M, Yonath A
* Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression (461 views)
Mol Cell (ISSN: 1097-2765, 1097-4164), 2003 Jan; 11(1): 91-102.
Impact Factor: 16.835
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (383 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (391 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (411 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
* Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance (309 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.
Impact Factor: 3.912
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Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (435 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
Impact Factor: 5.359
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Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site (489 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.
Impact Factor: 4.238
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
* Reversible substrate-induced domain motions in ribonuclease (336 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.
Impact Factor: 4.096
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (431 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (424 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (443 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
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Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (463 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.
Impact Factor: 4.614
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (380 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine (460 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.
Impact Factor: 1.5
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Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides (454 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.
Impact Factor: 1.311
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Lombardi A, D'Auria G, Maglio O, Nastri F, Quartara L, Pedone C, Pavone V
A novel rigid β-turn molecular scaffold (454 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1998; 120(24): 5879-5886.
Impact Factor: 5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (418 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
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D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide (381 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (455 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe (400 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI (463 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (455 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (581 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
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Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (560 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
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Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (443 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
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Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy (537 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.
Impact Factor: 4.572
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277 Records (271 excluding Abstracts).
Total impact factor: 1069.256 (1045.519 excluding Abstracts).
Total 5 year impact factor: 1110.25 (1086.232 excluding Abstracts).
Total impact factor: 1069.256 (1045.519 excluding Abstracts).
Total 5 year impact factor: 1110.25 (1086.232 excluding Abstracts).
485 views. Last view on Wednesday 15 March 2023, 13:42:37
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