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.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 3.73, 5-year impact factor: 2.964
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33646794342&partnerID=40&md5=5ddf9b2f90c19493fff9a8d59d707040
Keywords: β-Helix Structures, Amyloid Formation, Misfolding, Molecular Dynamics Simulations, Neurodegenerative Disease, Polyglutamine Repeats, Polypeptide, Article, Beta Sheet, Molecular Model, Priority Journal, Protein Aggregation, Protein Stability, Protein Structure, Computer Simulation, Secondary, Tertiary,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università degli Studi di Napoli Federico II, Via Cintia, I-80125 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Centro Interuniversitario di Ricerca sui Peptidi Bioattivi (C.I.R.P.E.B.), Via Mezzocannone 16, I-80134 Napoli, Italy
References:
Meyer, E.F., Tollett Jr., W.J., WWWWhy does nature stutter? A survey of strands of repeated amino acids (2001) Acta Crystallogr D Biol Crystallogr, 57, pp. 181-18
Perutz, M.F., Glutamine repeats and neurodegenerative diseases: Molecular aspects (1999) Trends Biochem Sci, 24, pp. 58-63
Perutz, M.F., Windle, A.H., Cause of neural death in neurodegenerative diseases attributable to expansion of glutamine repeats (2001) Nature, 412, pp. 143-144
Margolis, R.L., Ross, C.A., Expansion explosion: New clues to the pathogenesis of repeat expansion neurodegenerative diseases (2001) Trends Mol Med, 7, pp. 479-482
Masino, L., Pastore, A., Glutamine repeats: Structural hypotheses and neurodegeneration (2002) Biochem Soc Trans, 30, pp. 548-551
Scherzinger, E., Sittler, A., Schweiger, K., Heiser, V., Lurz, R., Hasenbank, R., Bates, G.P., Wanker, E.E., Self-assembly of polyglutamine-containing huntingtin fragments into amyloid-like fibrils: Implications for Huntington's disease pathology (1999) Proc Natl Acad Sci U S A, 96, pp. 4604-4609
Wanker, E.E., Protein aggregation and pathogenesis of Huntington's disease: Mechanisms and correlations (2000) Biol Chem, 381, pp. 937-942
Stine, O.C., Pleasant, N., Franz, M.L., Abbott, M.H., Folstein, S.E., Ross, C.A., Correlation between the onset age of Huntington's disease and length of the trinucleotide repeat in IT-15 (1993) Hum Mol Genet, 2, pp. 1547-1549
Duyao, M., Ambrose, C., Myers, R., Novelletto, A., Persichetti, F., Frontali, M., Folstein, S., Abbott, M., Trinucleotide repeat length instability and age of onset in Huntington's disease (1993) Nat Genet, 4, pp. 387-392
Ross, C.A., Poirier, M.A., Protein aggregation and neurodegenerative disease (2004) Nat Med, 10 (SUPPL.), pp. S10-S17
Davies, S.W., Turmaine, M., Cozens, B.A., Difiglia, M., Sharp, A.H., Ross, C.A., Scherzinger, E., Bates, G.P., Formation of neuronal intranuclear inclusions underlies the neurological dysfunction in mice transgenic for the HD mutation (1997) Cell, 90, pp. 537-548
Sisodia, S.S., Nuclear inclusions in glutamine repeat disorders: Are they pernicious, coincidental, or beneficial? (1998) Cell, 95, pp. 1-4
Arrasate, M., Mitra, S., Schweitzer, E.S., Segal, M.R., Finkbeiner, S., Inclusion body formation reduces levels of mutant huntingtin and the risk of neuronal death (2004) Nature, 431, pp. 805-810
Temussi, P.A., Masino, L., Pastore, A., From Alzheimer to Huntington: Why is a structural understanding so difficult? (2003) EMBO J, 22, pp. 355-361
Kahlem, P., Green, H., Djian, P., Transglutaminase action imitates Huntington's disease: Selective polymerization of Huntingtin containing expanded polyglutamine (1998) Mol Cell, 1, pp. 595-601
Perutz, M.F., Johnson, T., Suzuki, M., Finch, J.T., Glutamine repeats as polar zippers: Their possible role in inherited neurodegenerative diseases (1994) Proc Natl Acad Sci U S A, 91, pp. 5355-5358
Sikorski, P., Atkins, E., New model for crystalline polyglutamine assemblies and their connection with amyloid fibrils (2005) Biomacromolecules, 6, pp. 425-432
Monoi, H., New tubular single-stranded helix of poly-L-amino acids suggested by molecular mechanics calculations: I. Homopolypeptides in isolated environments (1995) Biophys J, 69, pp. 1130-1141
Wetzel, R., Ideas of order for amyloid fibril structure (2002) Structure (Camb), 10, pp. 1031-1036
Perutz, M.F., Finch, J.T., Berriman, J., Lesk, A., Amyloid fibers are water-filled nanotubes (2002) Proc Natl Acad Sci U S A, 99, pp. 5591-5595
Thakur, A.K., Wetzel, R., Mutational analysis of the structural organization of polyglutamine aggregates (2002) Proc Natl Acad Sci U S A, 99, pp. 17014-17019
Poirier, M.A., Jiang, H., Ross, C.A., A structure-based analysis of huntingtin mutant polyglutamine aggregation and toxicity: Evidence for a compact beta-sheet structure (2005) Hum Mol Genet, 14, pp. 765-774
Stork, M., Giese, A., Kretzschmar, H.A., Tavan, P., Molecular dynamics simulations indicate a possible role of parallel beta-helices in seeded aggregation of poly-Gin (2005) Biophys J, 88, pp. 2442-2451
Van Der Spoel, D., Van Druner, R., Berendsen, H.J.C., (1994) GROningen MAchine for Chemical Simulation, , Groningen: Department of Biophysical Chemistry, BIOSON Research Institute
Berendsen, H.J.C., Postma, J.P.M., Van Gusteren, W.F., Hermans, J., (1981) Interaction Models for Water in Relation to Protein Hydration, pp. 331-342. , Dordrecht: Reidel
Hess, B., Bekker, H., Berendsen, H.J.C., Freaje, J.G.E.M., LINCS: A linear constraint solver for molecular simulations (1997) J Comput Chem, 18, pp. 1463-1472
Chen, S., Berthelier, V., Hamilton, J.B., O'Nuallain, B., Wetzel, R., Amyloid-like features of polyglutamine aggregates and their assembly kinetics (2002) Biochemistry, 41, pp. 7391-7399
Jenkins, J., Pickersgill, R., The architecture of parallel beta-helices and related folds (2001) Prog Biophys Mol Biol, 77, pp. 111-175
Kishimoto, A., Hasegawa, K., Suzuki, H., Taguchi, H., Namba, K., Yoshida, M., Beta-Helix is a likely core structure of yeast prion Sup35 amyloid fibers (2004) Biochem Biophys Res Commun, 315, pp. 739-745
Meyer, E. F., Tollett Jr., W. J., WWWWhy does nature stutter? A survey of strands of repeated amino acids (2001) Acta Crystallogr D Biol Crystallogr, 57, pp. 181-18
Perutz, M. F., Glutamine repeats and neurodegenerative diseases: Molecular aspects (1999) Trends Biochem Sci, 24, pp. 58-63
Perutz, M. F., Windle, A. H., Cause of neural death in neurodegenerative diseases attributable to expansion of glutamine repeats (2001) Nature, 412, pp. 143-144
Margolis, R. L., Ross, C. A., Expansion explosion: New clues to the pathogenesis of repeat expansion neurodegenerative diseases (2001) Trends Mol Med, 7, pp. 479-482
Wanker, E. E., Protein aggregation and pathogenesis of Huntington's disease: Mechanisms and correlations (2000) Biol Chem, 381, pp. 937-942
Stine, O. C., Pleasant, N., Franz, M. L., Abbott, M. H., Folstein, S. E., Ross, C. A., Correlation between the onset age of Huntington's disease and length of the trinucleotide repeat in IT-15 (1993) Hum Mol Genet, 2, pp. 1547-1549
Ross, C. A., Poirier, M. A., Protein aggregation and neurodegenerative disease (2004) Nat Med, 10 (SUPPL.), pp. S10-S17
Davies, S. W., Turmaine, M., Cozens, B. A., Difiglia, M., Sharp, A. H., Ross, C. A., Scherzinger, E., Bates, G. P., Formation of neuronal intranuclear inclusions underlies the neurological dysfunction in mice transgenic for the HD mutation (1997) Cell, 90, pp. 537-548
Sisodia, S. S., Nuclear inclusions in glutamine repeat disorders: Are they pernicious, coincidental, or beneficial? (1998) Cell, 95, pp. 1-4
Temussi, P. A., Masino, L., Pastore, A., From Alzheimer to Huntington: Why is a structural understanding so difficult? (2003) EMBO J, 22, pp. 355-361
Perutz, M. F., Johnson, T., Suzuki, M., Finch, J. T., Glutamine repeats as polar zippers: Their possible role in inherited neurodegenerative diseases (1994) Proc Natl Acad Sci U S A, 91, pp. 5355-5358
Perutz, M. F., Finch, J. T., Berriman, J., Lesk, A., Amyloid fibers are water-filled nanotubes (2002) Proc Natl Acad Sci U S A, 99, pp. 5591-5595
Thakur, A. K., Wetzel, R., Mutational analysis of the structural organization of polyglutamine aggregates (2002) Proc Natl Acad Sci U S A, 99, pp. 17014-17019
Poirier, M. A., Jiang, H., Ross, C. A., A structure-based analysis of huntingtin mutant polyglutamine aggregation and toxicity: Evidence for a compact beta-sheet structure (2005) Hum Mol Genet, 14, pp. 765-774
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 3.73, 5-year impact factor: 2.964
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-33646794342&partnerID=40&md5=5ddf9b2f90c19493fff9a8d59d707040
Keywords: β-Helix Structures, Amyloid Formation, Misfolding, Molecular Dynamics Simulations, Neurodegenerative Disease, Polyglutamine Repeats, Polypeptide, Article, Beta Sheet, Molecular Model, Priority Journal, Protein Aggregation, Protein Stability, Protein Structure, Computer Simulation, Secondary, Tertiary,
Affiliations:
*** IBB - CNR ***
Dipartimento di Chimica, Università degli Studi di Napoli Federico II, Via Cintia, I-80125 Napoli, Italy
Istituto di Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
Centro Interuniversitario di Ricerca sui Peptidi Bioattivi (C.I.R.P.E.B.), Via Mezzocannone 16, I-80134 Napoli, Italy
References:
Meyer, E.F., Tollett Jr., W.J., WWWWhy does nature stutter? A survey of strands of repeated amino acids (2001) Acta Crystallogr D Biol Crystallogr, 57, pp. 181-18
Perutz, M.F., Glutamine repeats and neurodegenerative diseases: Molecular aspects (1999) Trends Biochem Sci, 24, pp. 58-63
Perutz, M.F., Windle, A.H., Cause of neural death in neurodegenerative diseases attributable to expansion of glutamine repeats (2001) Nature, 412, pp. 143-144
Margolis, R.L., Ross, C.A., Expansion explosion: New clues to the pathogenesis of repeat expansion neurodegenerative diseases (2001) Trends Mol Med, 7, pp. 479-482
Masino, L., Pastore, A., Glutamine repeats: Structural hypotheses and neurodegeneration (2002) Biochem Soc Trans, 30, pp. 548-551
Scherzinger, E., Sittler, A., Schweiger, K., Heiser, V., Lurz, R., Hasenbank, R., Bates, G.P., Wanker, E.E., Self-assembly of polyglutamine-containing huntingtin fragments into amyloid-like fibrils: Implications for Huntington's disease pathology (1999) Proc Natl Acad Sci U S A, 96, pp. 4604-4609
Wanker, E.E., Protein aggregation and pathogenesis of Huntington's disease: Mechanisms and correlations (2000) Biol Chem, 381, pp. 937-942
Stine, O.C., Pleasant, N., Franz, M.L., Abbott, M.H., Folstein, S.E., Ross, C.A., Correlation between the onset age of Huntington's disease and length of the trinucleotide repeat in IT-15 (1993) Hum Mol Genet, 2, pp. 1547-1549
Duyao, M., Ambrose, C., Myers, R., Novelletto, A., Persichetti, F., Frontali, M., Folstein, S., Abbott, M., Trinucleotide repeat length instability and age of onset in Huntington's disease (1993) Nat Genet, 4, pp. 387-392
Ross, C.A., Poirier, M.A., Protein aggregation and neurodegenerative disease (2004) Nat Med, 10 (SUPPL.), pp. S10-S17
Davies, S.W., Turmaine, M., Cozens, B.A., Difiglia, M., Sharp, A.H., Ross, C.A., Scherzinger, E., Bates, G.P., Formation of neuronal intranuclear inclusions underlies the neurological dysfunction in mice transgenic for the HD mutation (1997) Cell, 90, pp. 537-548
Sisodia, S.S., Nuclear inclusions in glutamine repeat disorders: Are they pernicious, coincidental, or beneficial? (1998) Cell, 95, pp. 1-4
Arrasate, M., Mitra, S., Schweitzer, E.S., Segal, M.R., Finkbeiner, S., Inclusion body formation reduces levels of mutant huntingtin and the risk of neuronal death (2004) Nature, 431, pp. 805-810
Temussi, P.A., Masino, L., Pastore, A., From Alzheimer to Huntington: Why is a structural understanding so difficult? (2003) EMBO J, 22, pp. 355-361
Kahlem, P., Green, H., Djian, P., Transglutaminase action imitates Huntington's disease: Selective polymerization of Huntingtin containing expanded polyglutamine (1998) Mol Cell, 1, pp. 595-601
Perutz, M.F., Johnson, T., Suzuki, M., Finch, J.T., Glutamine repeats as polar zippers: Their possible role in inherited neurodegenerative diseases (1994) Proc Natl Acad Sci U S A, 91, pp. 5355-5358
Sikorski, P., Atkins, E., New model for crystalline polyglutamine assemblies and their connection with amyloid fibrils (2005) Biomacromolecules, 6, pp. 425-432
Monoi, H., New tubular single-stranded helix of poly-L-amino acids suggested by molecular mechanics calculations: I. Homopolypeptides in isolated environments (1995) Biophys J, 69, pp. 1130-1141
Wetzel, R., Ideas of order for amyloid fibril structure (2002) Structure (Camb), 10, pp. 1031-1036
Perutz, M.F., Finch, J.T., Berriman, J., Lesk, A., Amyloid fibers are water-filled nanotubes (2002) Proc Natl Acad Sci U S A, 99, pp. 5591-5595
Thakur, A.K., Wetzel, R., Mutational analysis of the structural organization of polyglutamine aggregates (2002) Proc Natl Acad Sci U S A, 99, pp. 17014-17019
Poirier, M.A., Jiang, H., Ross, C.A., A structure-based analysis of huntingtin mutant polyglutamine aggregation and toxicity: Evidence for a compact beta-sheet structure (2005) Hum Mol Genet, 14, pp. 765-774
Stork, M., Giese, A., Kretzschmar, H.A., Tavan, P., Molecular dynamics simulations indicate a possible role of parallel beta-helices in seeded aggregation of poly-Gin (2005) Biophys J, 88, pp. 2442-2451
Van Der Spoel, D., Van Druner, R., Berendsen, H.J.C., (1994) GROningen MAchine for Chemical Simulation, , Groningen: Department of Biophysical Chemistry, BIOSON Research Institute
Berendsen, H.J.C., Postma, J.P.M., Van Gusteren, W.F., Hermans, J., (1981) Interaction Models for Water in Relation to Protein Hydration, pp. 331-342. , Dordrecht: Reidel
Hess, B., Bekker, H., Berendsen, H.J.C., Freaje, J.G.E.M., LINCS: A linear constraint solver for molecular simulations (1997) J Comput Chem, 18, pp. 1463-1472
Chen, S., Berthelier, V., Hamilton, J.B., O'Nuallain, B., Wetzel, R., Amyloid-like features of polyglutamine aggregates and their assembly kinetics (2002) Biochemistry, 41, pp. 7391-7399
Jenkins, J., Pickersgill, R., The architecture of parallel beta-helices and related folds (2001) Prog Biophys Mol Biol, 77, pp. 111-175
Kishimoto, A., Hasegawa, K., Suzuki, H., Taguchi, H., Namba, K., Yoshida, M., Beta-Helix is a likely core structure of yeast prion Sup35 amyloid fibers (2004) Biochem Biophys Res Commun, 315, pp. 739-745
Meyer, E. F., Tollett Jr., W. J., WWWWhy does nature stutter? A survey of strands of repeated amino acids (2001) Acta Crystallogr D Biol Crystallogr, 57, pp. 181-18
Perutz, M. F., Glutamine repeats and neurodegenerative diseases: Molecular aspects (1999) Trends Biochem Sci, 24, pp. 58-63
Perutz, M. F., Windle, A. H., Cause of neural death in neurodegenerative diseases attributable to expansion of glutamine repeats (2001) Nature, 412, pp. 143-144
Margolis, R. L., Ross, C. A., Expansion explosion: New clues to the pathogenesis of repeat expansion neurodegenerative diseases (2001) Trends Mol Med, 7, pp. 479-482
Wanker, E. E., Protein aggregation and pathogenesis of Huntington's disease: Mechanisms and correlations (2000) Biol Chem, 381, pp. 937-942
Stine, O. C., Pleasant, N., Franz, M. L., Abbott, M. H., Folstein, S. E., Ross, C. A., Correlation between the onset age of Huntington's disease and length of the trinucleotide repeat in IT-15 (1993) Hum Mol Genet, 2, pp. 1547-1549
Ross, C. A., Poirier, M. A., Protein aggregation and neurodegenerative disease (2004) Nat Med, 10 (SUPPL.), pp. S10-S17
Davies, S. W., Turmaine, M., Cozens, B. A., Difiglia, M., Sharp, A. H., Ross, C. A., Scherzinger, E., Bates, G. P., Formation of neuronal intranuclear inclusions underlies the neurological dysfunction in mice transgenic for the HD mutation (1997) Cell, 90, pp. 537-548
Sisodia, S. S., Nuclear inclusions in glutamine repeat disorders: Are they pernicious, coincidental, or beneficial? (1998) Cell, 95, pp. 1-4
Temussi, P. A., Masino, L., Pastore, A., From Alzheimer to Huntington: Why is a structural understanding so difficult? (2003) EMBO J, 22, pp. 355-361
Perutz, M. F., Johnson, T., Suzuki, M., Finch, J. T., Glutamine repeats as polar zippers: Their possible role in inherited neurodegenerative diseases (1994) Proc Natl Acad Sci U S A, 91, pp. 5355-5358
Perutz, M. F., Finch, J. T., Berriman, J., Lesk, A., Amyloid fibers are water-filled nanotubes (2002) Proc Natl Acad Sci U S A, 99, pp. 5591-5595
Thakur, A. K., Wetzel, R., Mutational analysis of the structural organization of polyglutamine aggregates (2002) Proc Natl Acad Sci U S A, 99, pp. 17014-17019
Poirier, M. A., Jiang, H., Ross, C. A., A structure-based analysis of huntingtin mutant polyglutamine aggregation and toxicity: Evidence for a compact beta-sheet structure (2005) Hum Mol Genet, 14, pp. 765-774
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
Neurodegenerative diseases are often associated with the formation of highly insoluble aggregates. Despite the efforts devoted to the characterization of these aggregates, their structure remains elusive. Several neurodegenerative diseases are characterized by the expansion of CAG repeats, which code for Gln. Among the structural models proposed for the aggregates observed in polyQ-linked diseases, the nanotube beta-helix model proposed by Perutz and colleagues [Proc Natl Acad Sci USA 2002; 99: 5591-5595] has been influential. In the present study, the stability of this beta-helix model has been investigated by performing molecular dynamics simulations on polyQ fragments of different lengths. The results indicate that models shorter than two full beta-helix turns are unstable and collapse toward irregular structures. On the other hand, longer beta-helix models, containing more than 40 residues, achieve a dynamic regular structure. This finding is in line with the observed threshold of Gln repeats (approximate to 40) correlated with the insurgence of the disease. Notably, the structure of the final state of the models longer than 40 residues strictly depends on their size. A compact stable ellipsoidal structure is formed by the model made of two full helical turns (41 residues), whereas water filled tubular structures emerge from simulation on longer polypeptides. These results have been interpreted taking into account the experimental data on polyQ aggregates. A structural interpretation of the literature data has been proposed by assuming that different beta-helical models are involved in the different stages of the aggregation process. Proteins 2006; 63: 918-927. (c) 2006 Wiley-Liss, Inc
Neurodegenerative diseases are often associated with the formation of highly insoluble aggregates. Despite the efforts devoted to the characterization of these aggregates, their structure remains elusive. Several neurodegenerative diseases are characterized by the expansion of CAG repeats, which code for Gln. Among the structural models proposed for the aggregates observed in polyQ-linked diseases, the nanotube beta-helix model proposed by Perutz and colleagues [Proc Natl Acad Sci USA 2002; 99: 5591-5595] has been influential. In the present study, the stability of this beta-helix model has been investigated by performing molecular dynamics simulations on polyQ fragments of different lengths. The results indicate that models shorter than two full beta-helix turns are unstable and collapse toward irregular structures. On the other hand, longer beta-helix models, containing more than 40 residues, achieve a dynamic regular structure. This finding is in line with the observed threshold of Gln repeats (approximate to 40) correlated with the insurgence of the disease. Notably, the structure of the final state of the models longer than 40 residues strictly depends on their size. A compact stable ellipsoidal structure is formed by the model made of two full helical turns (41 residues), whereas water filled tubular structures emerge from simulation on longer polypeptides. These results have been interpreted taking into account the experimental data on polyQ aggregates. A structural interpretation of the literature data has been proposed by assuming that different beta-helical models are involved in the different stages of the aggregation process. Proteins 2006; 63: 918-927. (c) 2006 Wiley-Liss, Inc
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
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* Cross-Talk Between the Octarepeat Domain and the Fifth Binding Site of Prion Protein Driven by the Interaction of Copper(II) with the N-terminus (454 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Mar 2; 21(10): 4071-4084.
Impact Factor: 5.771
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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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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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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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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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Oliveri V, Bellia F, Pietropaolo A, Vecchio G
* Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation (530 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.
Impact Factor: 5.771
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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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Perani D, Della Rosa PA, Cerami C, Gallivanone F, Fallanca F, Vanoli EG, Panzacchi A, Nobili F, Pappata S, Marcone A, Garibotto V, Castiglioni I, Magnani G, Cappa SF, Gianolli L; EADC-PET Consortium
* Validation of an optimized SPM procedure for FDG-PET in dementia diagnosis in a clinical setting (498 views)
Neuroimage Clin (ISSN: 2213-1582, 2213-1582electronic, 2213-1582linking), 2014 Oct 24; 6: 445-454.
Impact Factor: 2.526
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Oliveri V, Attanasio F, Puglisi A, Spencer J, Sgarlata C, Vecchio G
* Multifunctional 8-hydroxyquinoline-appended cyclodextrins as new inhibitors of metal-induced protein aggregation (649 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jul 14; 20(29): 8954-8964.
Impact Factor: 5.731
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Tedeschi E, Lanzillo R, Mancini M, Russo C, Cianflone A, Liuzzi R, Cocozza S, Postiglione E, Palma G, Caprio MG, Incoronato MR, Criscuolo C, Brescia Morra V, Salvatore M
* Imaging Of Brain Perfusion In Multiple Sclerosis And Neurodegenerative Diseases: Association With Endothelial Factors. An Interim Analysis (331 views) (PDF 204 views)
2014 Joint Actrims-Ectrims Meeting, 2014 Apr 28; N/D: N/D-N/D.
Impact Factor: 0
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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 (608 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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Comi G, Battaglia MA, Bertolotto A, Del Sette M, Ghezzi A, Malferrari G, Salvetti M, Sormani MP, Tesio L, Stolz E, Zaratin P, Mancardi G, Mancini M
* Observational case-control study of the prevalence of chronic cerebrospinal venous insufficiency in multiple sclerosis: results from the CoSMo study (294 views)
Mult Scler (ISSN: 1477-0970, 1352-4585, 1352-4585linking), 2013 Oct; 19(11): 1508-1517.
Impact Factor: 4.863
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Arena G, Bellia F, Frasca G, Grasso G, Lanza V, Rizzarelli E, Tabbì G, Zito V, Milardi D
* Inorganic stressors of ubiquitin (359 views) (PDF 203 views)
Inorg Chem (ISSN: 1520-510x, 1520-510xelectronic, 0020-1669linking), 2013 Sep 19; 52(16): 9567-9573.
Impact Factor: 4.794
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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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Palmieri M, Malgieri G, Russo L, Baglivo I, Esposito S, Netti F, Del Gatto A, De Paola I, Zaccaro L, Pedone PV, Isernia C, Milardi D, Fattorusso R
* Structural Zn(II) Implies a Switch from Fully Cooperative to Partly Downhill Folding in Highly Homologous Proteins (408 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2013 Apr 2; 135(13): 5220-5228.
Impact Factor: 11.444
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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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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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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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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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Cirillo G, Colangelo AM, Bianco MR, Cavaliere C, Zaccaro L, Sarmientos P, Alberghina L, Papa M
* BB14, a Nerve Growth Factor (NGF)-like peptide shown to be effective in reducing reactive astrogliosis and restoring synaptic homeostasis in a rat model of peripheral nerve injury (402 views)
Biotechnology Advances (ISSN: 0734-9750), 2012 Jan; 30(1): 223-232.
Impact Factor: 9.599
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Bellia F, Vecchio G, Cuzzocrea S, Calabrese V, Rizzarelli E
* Neuroprotective features of carnosine in oxidative driven diseases (424 views)
Molecular Aspects Of Medicine (ISSN: 1872-9452, 0098-2997), 2011 Sep; 32(4-6): 258-266.
Impact Factor: 9.97
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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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Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (576 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
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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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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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Palladino P, Ronga L, Benedetti E, Rossi F, Ragone R
* Peptide Fragment Approach to Prion Misfolding: The Alpha-2 Domain (401 views)
Int J Pept Res Ther (ISSN: 1573-3149, 0929-5666), 2009 Sep; 15(3): 165-176.
Impact Factor: 0.869
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Calabrese V, Cornelius C, Mancuso C, Barone E, Calafato S, Bates T, Rizzarelli E, Kostova AT
* Vitagenes, dietary antioxidants and neuroprotection in neurodegenerative diseases (1144 views)
Frontiers In Bioscience (ISSN: 1093-4715, 1093-9946), 2009 Jan 1; 14: 376-397.
Impact Factor: 3.736
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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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Calabrese V, Cornelius C, Mancuso C, Pennisi G, Calafato S, Bellia F, Bates TE, Giuffrida Stella AM, Schapira T, Dinkova Kostova AT, Rizzarelli E
* Cellular stress response: a novel target for chemoprevention and nutritional neuroprotection in aging, neurodegenerative disorders and longevity (1217 views)
Neurochemical Research (ISSN: 1573-6903, 0364-3190), 2008 Dec; 33(12): 2444-2471.
Impact Factor: 2.26
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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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Caraci F, Busceti C, Biagioni F, Aronica E, Mastroiacovo F, Cappuccio I, Battaglia G, Bruno V, Caricasole A, Copani A, Nicoletti
* The Wnt antagonist, Dickkopf-1, as a target for the treatment of neurodegenerative disorders (388 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2008 Dec; 33(12): 2401-2406.
Impact Factor: 2.26
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Varrone A, Sansone V, Pellecchia MT, Amboni M, Salvatore E, De Michele G, Filla A, Barone P, Pappata S, Salvatore M
* Comparison between a dual-head and a brain-dedicated SPECT system in the measurement of the loss of dopamine transporters with [123I]FP-CIT (341 views)
Eur J Nucl Med (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Jul; 35(7): 1343-1349.
Impact Factor: 4.532
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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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Salvatore E, Varrone A, Criscuolo C, Mancini P, Sansone V, Strisciuglio C, Cicala D, Scarano V, Salvatore M, Pappata S, De Michele G, Filla A
* Nigrostriatal involvement in ataxia with oculomotor apraxia type (355 views)
J Neurol (ISSN: 0340-5354print, 0340-5354linking, 1432-1459electronic), 2008 Jan; 255(1): 45-48.
Impact Factor: 2.536
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Barbarulo AM, Pappata S, Puoti G, Prinster A, Grossi D, Cotrufo R, Salvatore M, Trojano L
* Rehabilitation of gesture imitation: a case study with fMRI (397 views)
Neurocase (ISSN: 1465-3656, 1355-4794), 2008; 14(4): 293-306.
Impact Factor: 0.918
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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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Calabrese V, Mancuso C, Calvani M, Rizzarelli E, Butterfield DA, Stella AM
* Nitric oxide in the central nervous system: neuroprotection versus neurotoxicity (753 views)
Nature Reviews Neuroscience (ISSN: 1471-0048), 2007 Oct; 8(10): 766-775.
Impact Factor: 24.52
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Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
* Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding (377 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(42): 7993-7995.
Impact Factor: 10.031
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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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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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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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Palladino P, Ronga L, Tizzano B, Rossi F, Ragone R, Tancredi T, Saviano G, Facchiano A, Costantini S, Ruvo M, Benedetti E
* Prion protein misfolding: Conformational stability of the alpha 2-helix (289 views)
Understanding Biology Using Peptides, 2006; N/D: N/D-N/D.
Impact Factor: 2.614
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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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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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* Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States (13 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Aug 7; 26(16): N/D-N/D.
Impact Factor: 4.411
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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.
Impact Factor:
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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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Dubbioso R, Ruggiero L, Esposito M, Tarantino P, De Angelis M, Aruta F, Pappata S, Ugga L, Piperno A, Iorio R, Santoro L, Iodice R, Manganelli F
* Different cortical excitability profiles in hereditary brain iron and copper accumulation (131 views)
Neurol Sci (ISSN: 1590-1874linking, 1590-3478), 2020 Mar; 41(3): 679-685.
Impact Factor: 1.315
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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 (421 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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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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Goerke S, Breitling J, Zaiss M, Windschuh J, Kunz P, Schuenke P, Paech D, Longo DL, Klika KD, Ladd ME, Bachert P
* Dual-frequency irradiation CEST-MRI of endogenous bulk mobile proteins (286 views)
Nmr Biomed (ISSN: 0952-3480, 1099-1492electronic, 0952-3480linking), 2018 Jun; 31(6): e3920-N/D.
Impact Factor: 2.872
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Lanza V, Milardi D, Di Natale G, Pappalardo G
* Repurposing of Copper(II)-chelating Drugs for the Treatment of Neurodegenerative Diseases (708 views)
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018 Feb 12; 25(4): 525-539.
Impact Factor: 3.249
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Lanza V, Bellia F, Rizzarelli E
* An inorganic overview of natural Aβ fragments: Copper(II) and zinc(II)-mediated pathways (439 views)
Coord Chem Rev (ISSN: 0010-8545), 2018; 369: 1-14.
Impact Factor: 11.225
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Oliveri V, Zimbone S, Giuffrida ML, Bellia F, Tomasello MF, Vecchio G
* Porphyrin Cyclodextrin Conjugates Modulate Amyloid Beta Peptide Aggregation and Cytotoxicity (362 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2018; 24(24): 6349-6353.
Impact Factor: 5.476
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Galati C, Spinella N, Renna L, Milardi D, Attanasio F, Sciacca MFM, Bongiorno C
* Strategy to discover full-length amyloid-beta peptide ligands using high-efficiency microarray technology (412 views)
Beilstein J Nanotech (ISSN: 2190-4286), 2017 Nov 20; 8(1): 2446-2453.
Impact Factor: 2.968
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Albanese S, Greco A, Auletta L, Mancini M
* Mouse models of neurodegenerative disease: preclinical imaging and neurovascular component (336 views)
Brain Imaging Behav (ISSN: 1931-7557), 2017 Oct 26; N/D: N/D-N/D.
Impact Factor: 3.719
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Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
* Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation (371 views) (PDF 179 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.
Impact Factor: 4.099
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Gargiulo S, Coda AR, Panico M, Gramanzini M, Moresco RM, Chalon S, Pappata S
* Molecular imaging of neuroinflammation in preclinical rodent models using positron emission tomography (307 views)
Q J Nucl Med Mol Im (ISSN: 1824-4785, 1824-4478, 1827-1936), 2017 Mar; 61(1): 60-75.
Impact Factor: 2.368
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Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (220 views) (PDF 188 views)
Ieee T Med Imaging (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
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Varrone A, Pappata S, Quarantelli M
* Movement disorders: Focus on Parkinson’s disease and related disorders (390 views)
Pet Ct And Pet Mri In Neurology (ISSN: 9783-3193161479783319316123), 2016; N/D: 103-125.
Impact Factor: 0
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Oliveri V, Bellia F, Grasso GI, Pietropaolo A, Vecchio G
* Trehalose-8-hydroxyquinoline conjugates as antioxidant modulators of Aβ aggregation (942 views)
Rsc Adv (ISSN: 2046-2069), 2016; 6(53): 47229-47236.
Impact Factor: 3.108
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Di Natale G, Turi I, Pappalardo G, Sóvágó I, Rizzarelli E
* Cross-Talk Between the Octarepeat Domain and the Fifth Binding Site of Prion Protein Driven by the Interaction of Copper(II) with the N-terminus (454 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Mar 2; 21(10): 4071-4084.
Impact Factor: 5.771
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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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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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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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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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Oliveri V, Bellia F, Pietropaolo A, Vecchio G
* Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation (530 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.
Impact Factor: 5.771
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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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Perani D, Della Rosa PA, Cerami C, Gallivanone F, Fallanca F, Vanoli EG, Panzacchi A, Nobili F, Pappata S, Marcone A, Garibotto V, Castiglioni I, Magnani G, Cappa SF, Gianolli L; EADC-PET Consortium
* Validation of an optimized SPM procedure for FDG-PET in dementia diagnosis in a clinical setting (498 views)
Neuroimage Clin (ISSN: 2213-1582, 2213-1582electronic, 2213-1582linking), 2014 Oct 24; 6: 445-454.
Impact Factor: 2.526
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Oliveri V, Attanasio F, Puglisi A, Spencer J, Sgarlata C, Vecchio G
* Multifunctional 8-hydroxyquinoline-appended cyclodextrins as new inhibitors of metal-induced protein aggregation (649 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2014 Jul 14; 20(29): 8954-8964.
Impact Factor: 5.731
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Tedeschi E, Lanzillo R, Mancini M, Russo C, Cianflone A, Liuzzi R, Cocozza S, Postiglione E, Palma G, Caprio MG, Incoronato MR, Criscuolo C, Brescia Morra V, Salvatore M
* Imaging Of Brain Perfusion In Multiple Sclerosis And Neurodegenerative Diseases: Association With Endothelial Factors. An Interim Analysis (331 views) (PDF 204 views)
2014 Joint Actrims-Ectrims Meeting, 2014 Apr 28; N/D: N/D-N/D.
Impact Factor: 0
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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 (608 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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Comi G, Battaglia MA, Bertolotto A, Del Sette M, Ghezzi A, Malferrari G, Salvetti M, Sormani MP, Tesio L, Stolz E, Zaratin P, Mancardi G, Mancini M
* Observational case-control study of the prevalence of chronic cerebrospinal venous insufficiency in multiple sclerosis: results from the CoSMo study (294 views)
Mult Scler (ISSN: 1477-0970, 1352-4585, 1352-4585linking), 2013 Oct; 19(11): 1508-1517.
Impact Factor: 4.863
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Arena G, Bellia F, Frasca G, Grasso G, Lanza V, Rizzarelli E, Tabbì G, Zito V, Milardi D
* Inorganic stressors of ubiquitin (359 views) (PDF 203 views)
Inorg Chem (ISSN: 1520-510x, 1520-510xelectronic, 0020-1669linking), 2013 Sep 19; 52(16): 9567-9573.
Impact Factor: 4.794
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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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Palmieri M, Malgieri G, Russo L, Baglivo I, Esposito S, Netti F, Del Gatto A, De Paola I, Zaccaro L, Pedone PV, Isernia C, Milardi D, Fattorusso R
* Structural Zn(II) Implies a Switch from Fully Cooperative to Partly Downhill Folding in Highly Homologous Proteins (408 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2013 Apr 2; 135(13): 5220-5228.
Impact Factor: 11.444
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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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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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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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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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Cirillo G, Colangelo AM, Bianco MR, Cavaliere C, Zaccaro L, Sarmientos P, Alberghina L, Papa M
* BB14, a Nerve Growth Factor (NGF)-like peptide shown to be effective in reducing reactive astrogliosis and restoring synaptic homeostasis in a rat model of peripheral nerve injury (402 views)
Biotechnology Advances (ISSN: 0734-9750), 2012 Jan; 30(1): 223-232.
Impact Factor: 9.599
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Bellia F, Vecchio G, Cuzzocrea S, Calabrese V, Rizzarelli E
* Neuroprotective features of carnosine in oxidative driven diseases (424 views)
Molecular Aspects Of Medicine (ISSN: 1872-9452, 0098-2997), 2011 Sep; 32(4-6): 258-266.
Impact Factor: 9.97
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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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Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (576 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
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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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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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Palladino P, Ronga L, Benedetti E, Rossi F, Ragone R
* Peptide Fragment Approach to Prion Misfolding: The Alpha-2 Domain (401 views)
Int J Pept Res Ther (ISSN: 1573-3149, 0929-5666), 2009 Sep; 15(3): 165-176.
Impact Factor: 0.869
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Calabrese V, Cornelius C, Mancuso C, Barone E, Calafato S, Bates T, Rizzarelli E, Kostova AT
* Vitagenes, dietary antioxidants and neuroprotection in neurodegenerative diseases (1144 views)
Frontiers In Bioscience (ISSN: 1093-4715, 1093-9946), 2009 Jan 1; 14: 376-397.
Impact Factor: 3.736
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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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Calabrese V, Cornelius C, Mancuso C, Pennisi G, Calafato S, Bellia F, Bates TE, Giuffrida Stella AM, Schapira T, Dinkova Kostova AT, Rizzarelli E
* Cellular stress response: a novel target for chemoprevention and nutritional neuroprotection in aging, neurodegenerative disorders and longevity (1217 views)
Neurochemical Research (ISSN: 1573-6903, 0364-3190), 2008 Dec; 33(12): 2444-2471.
Impact Factor: 2.26
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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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Caraci F, Busceti C, Biagioni F, Aronica E, Mastroiacovo F, Cappuccio I, Battaglia G, Bruno V, Caricasole A, Copani A, Nicoletti
* The Wnt antagonist, Dickkopf-1, as a target for the treatment of neurodegenerative disorders (388 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2008 Dec; 33(12): 2401-2406.
Impact Factor: 2.26
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Varrone A, Sansone V, Pellecchia MT, Amboni M, Salvatore E, De Michele G, Filla A, Barone P, Pappata S, Salvatore M
* Comparison between a dual-head and a brain-dedicated SPECT system in the measurement of the loss of dopamine transporters with [123I]FP-CIT (341 views)
Eur J Nucl Med (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Jul; 35(7): 1343-1349.
Impact Factor: 4.532
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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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Salvatore E, Varrone A, Criscuolo C, Mancini P, Sansone V, Strisciuglio C, Cicala D, Scarano V, Salvatore M, Pappata S, De Michele G, Filla A
* Nigrostriatal involvement in ataxia with oculomotor apraxia type (355 views)
J Neurol (ISSN: 0340-5354print, 0340-5354linking, 1432-1459electronic), 2008 Jan; 255(1): 45-48.
Impact Factor: 2.536
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Barbarulo AM, Pappata S, Puoti G, Prinster A, Grossi D, Cotrufo R, Salvatore M, Trojano L
* Rehabilitation of gesture imitation: a case study with fMRI (397 views)
Neurocase (ISSN: 1465-3656, 1355-4794), 2008; 14(4): 293-306.
Impact Factor: 0.918
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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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Calabrese V, Mancuso C, Calvani M, Rizzarelli E, Butterfield DA, Stella AM
* Nitric oxide in the central nervous system: neuroprotection versus neurotoxicity (753 views)
Nature Reviews Neuroscience (ISSN: 1471-0048), 2007 Oct; 8(10): 766-775.
Impact Factor: 24.52
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Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
* Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding (377 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(42): 7993-7995.
Impact Factor: 10.031
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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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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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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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Palladino P, Ronga L, Tizzano B, Rossi F, Ragone R, Tancredi T, Saviano G, Facchiano A, Costantini S, Ruvo M, Benedetti E
* Prion protein misfolding: Conformational stability of the alpha 2-helix (289 views)
Understanding Biology Using Peptides, 2006; N/D: N/D-N/D.
Impact Factor: 2.614
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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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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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62 Records (60 excluding Abstracts).
Total impact factor: 277.876 (275.262 excluding Abstracts).
Total 5 year impact factor: 278.592 (276.04 excluding Abstracts).
Total impact factor: 277.876 (275.262 excluding Abstracts).
Total 5 year impact factor: 278.592 (276.04 excluding Abstracts).
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