Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study

Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study (415 views)

Alcides Petruk A, Vergara A, Estrin D, Merlino A

Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.

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Paper type: Journal Article,

Impact factor: 3.341, 5-year impact factor: 3.47

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84880697137&partnerID=40&md5=29c1ca08ecacfcabb0e492b4d5271de5

Keywords: Molecular Dynamics, Nitric Oxide, Nitrosylhemoglobin, Hemoglobin Alpha Chain, Hemoglobin Beta Chain, Article, Controlled Study, Density Functional Theory, Hydration, Ligand Binding, Nitrosylation, Priority Journal, Protein Conformation, Protein Tertiary Structure, Humans, Molecular Dynamics Simulation, Protein Structure, Quaternary,

Affiliations:
*** IBB - CNR ***

Departamento de Química Inorgánica, Analítica y Química Física, INQUIMAE-CONICET, University of Buenos Aires, Buenos Aires, Argentina
Department of Chemical Sciences, University of Naples Federico II, via Cintia, 80126 Napoli, Italy
Institute of Biostructures and Bioimages, CNR, via Mezzocannone 16, 80100 Napoli, Italy
Departamento de Qu mica Inorg nica, Anal tica y Qu mica F sica, INQUIMAE-CONICET, University of Buenos Aires, Buenos Aires, Argentina

References:
Stamler, J.S., Singel, D.J., Loscalzo, J., Biochemistry of nitric oxide and its redox-activated forms (1992) Science, 258, pp. 1898-190

Gladwin, M.T., Kim-Shapiro, D.B., Vascular biology: Nitric oxide caught in traffic (2012) Nature, 491, pp. 344-345

Tomasian, D., Keaney, J.F., Vita, J.A., Antioxidants and the bioactivity of endothelium-derived nitric oxide (2000) Cardiovasc. Res., 47, pp. 426-435

Radomski, M.W., Palmer, R.M., Moncada, S., Characterization of the l-arginine/nitric oxide pathway in human platelets (1990) Br. J. Pharmacol., 101, pp. 325-328

Pawloski, J.R., Swaminathan, R.V., Stamler, J.S., Cell-free and erythrocytic S-nitrosohemoglobin inhibits human platelet aggregation (1998) Circulation, 97, pp. 263-267

Gladwin, M.T., Crawford, J.H., Patel, R.P., The biochemistry of nitric oxide, nitrite, and hemoglobin: Role in blood flow regulation (2004) Free Radic. Biol. Med., 36, pp. 707-717

Gladwin, M.T., Lancaster Jr., J.R., Freeman, B.A., Schechter, A.N., Nitric oxide's reactions with hemoglobin: A view through the SNO-storm (2003) Nat. Med., 9, pp. 496-500

Maxwell, J.C., Caughey, W.S., An infrared study of nitric oxide bonding to heme B and hemoglobin A. Evidence for inositol hexaphosphate induced cleavage of proximal histidine to iron bonds (1976) Biochemistry, 15, pp. 388-396

Szabo, A., Perutz, M.F., Equilibrium between six- and five-coordinated hemes in nitrosylhemoglobin: Interpretation of electron spin resonance spectra (1976) Biochemistry, 15, pp. 4427-4428

Hille, R., Olson, J.S., Palmer, G., Spectral transitions of nitrosyl hemes during ligand binding to hemoglobin (1979) J. Biol. Chem., 254, pp. 12110-12120

Arcovito, A., Della Longa, S., Ligand binding intermediates of nitrosylated human hemoglobin induced at low temperature by X-ray irradiation (2011) Inorg. Chem., 50, pp. 9423-9429

Bonaventura, J., Lance, V., Nitric Oxide, invertebrates and hemoglobin (2001) Amer. Zool., 41, pp. 346-359

Jia, L., Bonaventura, C., Bonaventura, J., Stamler, J.S., S-nitrosohaemoglobin: A dynamic activity of blood involved in vascular control (1996) Nature, 380, pp. 221-226

Eich, R.F., Mechanism of NO-induced oxidation of myoglobin and hemoglobin (1996) Biochemistry, 35, pp. 6976-6983

Cabrales, P., Han, G., Nacharaju, P., Friedman, A.J., Friedman, J.M., Reversal of hemoglobin-induced vasoconstriction with sustained release of nitric oxide (2011) Am. J. Physiol. Heart Circ. Physiol., 300, pp. H49-H56

Wang, D., In vivo reduction of cell-free methemoglobin to oxyhemoglobin results in vasoconstriction in canines (2013) Transfusion, , http://dx.doi.org/10.1111/trf.12162, [Epub ahead of print]

Stepuro, T.L., Zinchuk, V.V., Nitric oxide effect on the hemoglobin-oxygen affinity (2006) J. Physiol. Pharmacol., 57, pp. 29-38

Jensen, F.B., The dual roles of red blood cells in tissue oxygen delivery: Oxygen carriers and regulators of local blood flow (2009) J. Exp. Biol., 212, pp. 3387-3393

Funai, E.F., Davidson, A., Seligman, S.P., Finlay, T.H., S-nitrosohemoglobin in the fetal circulation may represent a cycle for blood pressure regulation (1997) Biochem. Biophys. Res. Commun., 239, pp. 875-877

Gow, A.J., Stamler, J.S., Reactions between nitric oxide and haemoglobin under physiological conditions (1998) Nature, 391, pp. 169-173

Chan, N.L., Kavanaugh, J.S., Rogers, P.H., Arnone, A., Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin (2004) Biochemistry, 43, pp. 118-132

Szabo, A., Barron, L.D., Letter: Resonance Raman studies of nitric oxide hemoglobin (1975) J. Am. Chem. Soc., 97, pp. 660-662

Perutz, M.F., Kilmartin, J.V., Nagai, K., Szabo, A., Simon, S.R., Influence of globin structures on the state of the heme. Ferrous low spin derivatives (1976) Biochemistry, 15, pp. 378-387

Perutz, M.F., Regulation of oxygen affinity of hemoglobin (1979) Annu. Rev. Biochem., 48, pp. 327-386

Mingos, D.M.P., A general bonding model for linear and bent transition metal-nitrosyl complexes (1973) Inorg. Chem., 12, pp. 1209-1211

Hoffmann, R.M., Chen, M.L., Elian, M., Rossi, A.R., Mingos, D.M.P., Pentacoordinate nitrosyls (1974) Inorg. Chem., 13, pp. 2666-2675

Boechi, L., Marti, M.A., Vergara, A., Sica, F., Mazzarella, L., Estrin, D.A., 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 (2011) IUBMB Life, 63, pp. 175-182

Balsamo, A., Sannino, F., Merlino, A., Parrilli, E., Tutino, M.L., Mazzarella, L., Vergara, A., Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins (2012) Biochimie, 94, pp. 953-960

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 (2010) J. Phys. Chem. B, 114, pp. 7002-7008

Arroyo-Manez, P., Protein dynamics and ligand migration interplay as studied by computer simulation (2011) Biochim. Biophys. Acta, 1814, pp. 1054-1064

Bikiel, D.E., Modeling heme proteins using atomistic simulations (2006) Phys. Chem. Chem. Phys., 8, pp. 5611-5628

Capece, L., Boechi, L., Perissinotti, L.L., Arroyo-Manez, P., Bikiel, D.E., Smulevich, G., Marti, M.A., Estrin, D.A., Small ligand-globin interactions: Reviewing lessons derived from computer simulation (2013) Biochim. Biophys. Acta, , http://dx.doi.org/10.1016/j.bbapap.2013.02.038, [Epub ahead of print]

Crespo, A., Scherlis, D.A., Marti, M.A., Ordejon, P., Roitberg, A.E., Estrin, D.A., A DFT based QM-MM approach designed for the treatment of large molecular systems: Application to Chorismate mutase (2003) J. Phys. Chem. B, 49, pp. 13728-13736

Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple (1996) Phys. Rev. Lett., 18, pp. 3865-3868

Marti, M.A., Scherlis, D.A., Doctorovich, F.A., Ordejon, P., Estrin, D.A., Modulation of the NO trans effect in heme proteins: Implications for the activation of soluble guanylate cyclase (2003) J. Biol. Inorg. Chem., 8, pp. 595-600

Capece, L., Estrin, D.A., Marti, M.A., Dynamical characterization of the heme NO oxygen binding (HNOX) domain. Insight into soluble guanylate cyclase allosteric transition (2008) Biochemistry, 47, pp. 9416-9427

Capece, L., Marti, M.A., Crespo, A., Doctorovich, F., Estrin, D.A., Heme protein oxygen affinity regulation exerted by proximal effects (2006) J. Am. Chem. Soc., 128, pp. 12455-12461

Marti, M.A., Capece, L., Crespo, A., Doctorovich, F., Estrin, D.A., Nitric oxide interaction with cytochrome c′ and its relevance to guanylate cyclase. Why does the iron histidine bond break? (2005) J. Am. Chem. Soc., 127, pp. 7721-7728

Case, D.A., The Amber biomolecular simulation programs (2005) J. Comput. Chem., 26, pp. 1668-1688

Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Dinola, A., Haak, J.R., Molecular-dynamics with coupling to an external bath (1984) J. Chem. Phys., 81, pp. 3684-3690

Ryckaert, J.P., Ciccotti, G., Berendsen, H.J.C., Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes (1977) J. Comput. Phys., 23, pp. 327-341

Sasaki, J., Imamura, T., Yanase, T., Hemoglobin Hirose, a human hemoglobin variant with a substitution at the alpha1beta2 interface. Subunit dissociation and the equilibria and kinetics of ligand binding (1978) J. Biol. Chem., 253, pp. 87-94

Owen, M.C., Oekelford, P.A., Wells, R.M.G., Hb Howick [β37(C3)TRP→GLY]: A new high oxygen affinity variant of the α1β2 contact (1993) Hemoglobin, 17, pp. 513-521

Hub, J.S., Kubitzki, M.B., De Groot, B.L., Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation (2010) PLoS Comput. Biol., 6, p. 1000774

Saito, M., Okazaki, I., A 45-ns molecular dynamics simulation of hemoglobin in water by vectorizing and parallelizing COSMOS90 on the earth simulator: Dynamics of tertiary and quaternary structures (2007) J. Comput. Chem., 28, pp. 1129-1136

Merlino, A., Fuchs, M.R., Pica, A., Balsamo, A., Dworkowski, F.S., Pompidor, G., Mazzarella, L., Vergara, A., Selective X-ray-induced NO photodissociation in haemoglobin crystals: Evidence from a Raman-assisted crystallographic study (2013) Acta Crystallogr. D Biol. Crystallogr., 69, pp. 137-140

Stamler, J. S., Singel, D. J., Loscalzo, J., Biochemistry of nitric oxide and its redox-activated forms (1992) Science, 258, pp. 1898-190

Gladwin, M. T., Kim-Shapiro, D. B., Vascular biology: Nitric oxide caught in traffic (2012) Nature, 491, pp. 344-345

Radomski, M. W., Palmer, R. M., Moncada, S., Characterization of the l-arginine/nitric oxide pathway in human platelets (1990) Br. J. Pharmacol., 101, pp. 325-328

Pawloski, J. R., Swaminathan, R. V., Stamler, J. S., Cell-free and erythrocytic S-nitrosohemoglobin inhibits human platelet aggregation (1998) Circulation, 97, pp. 263-267

Gladwin, M. T., Crawford, J. H., Patel, R. P., The biochemistry of nitric oxide, nitrite, and hemoglobin: Role in blood flow regulation (2004) Free Radic. Biol. Med., 36, pp. 707-717

Gladwin, M. T., Lancaster Jr., J. R., Freeman, B. A., Schechter, A. N., Nitric oxide's reactions with hemoglobin: A view through the SNO-storm (2003) Nat. Med., 9, pp. 496-500

Maxwell, J. C., Caughey, W. S., An infrared study of nitric oxide bonding to heme B and hemoglobin A. Evidence for inositol hexaphosphate induced cleavage of proximal histidine to iron bonds (1976) Biochemistry, 15, pp. 388-396

Eich, R. F., Mechanism of NO-induced oxidation of myoglobin and hemoglobin (1996) Biochemistry, 35, pp. 6976-6983

Stepuro, T. L., Zinchuk, V. V., Nitric oxide effect on the hemoglobin-oxygen affinity (2006) J. Physiol. Pharmacol., 57, pp. 29-38

Jensen, F. B., The dual roles of red blood cells in tissue oxygen delivery: Oxygen carriers and regulators of local blood flow (2009) J. Exp. Biol., 212, pp. 3387-3393

Funai, E. F., Davidson, A., Seligman, S. P., Finlay, T. H., S-nitrosohemoglobin in the fetal circulation may represent a cycle for blood pressure regulation (1997) Biochem. Biophys. Res. Commun., 239, pp. 875-877

Gow, A. J., Stamler, J. S., Reactions between nitric oxide and haemoglobin under physiological conditions (1998) Nature, 391, pp. 169-173

Chan, N. L., Kavanaugh, J. S., Rogers, P. H., Arnone, A., Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin (2004) Biochemistry, 43, pp. 118-132

Perutz, M. F., Kilmartin, J. V., Nagai, K., Szabo, A., Simon, S. R., Influence of globin structures on the state of the heme. Ferrous low spin derivatives (1976) Biochemistry, 15, pp. 378-387

Perutz, M. F., Regulation of oxygen affinity of hemoglobin (1979) Annu. Rev. Biochem., 48, pp. 327-386

Mingos, D. M. P., A general bonding model for linear and bent transition metal-nitrosyl complexes (1973) Inorg. Chem., 12, pp. 1209-1211

Hoffmann, R. M., Chen, M. L., Elian, M., Rossi, A. R., Mingos, D. M. P., Pentacoordinate nitrosyls (1974) Inorg. Chem., 13, pp. 2666-2675

Bikiel, D. E., Modeling heme proteins using atomistic simulations (2006) Phys. Chem. Chem. Phys., 8, pp. 5611-5628

Perdew, J. P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple (1996) Phys. Rev. Lett., 18, pp. 3865-3868

Marti, M. A., Scherlis, D. A., Doctorovich, F. A., Ordejon, P., Estrin, D. A., Modulation of the NO trans effect in heme proteins: Implications for the activation of soluble guanylate cyclase (2003) J. Biol. Inorg. Chem., 8, pp. 595-600

Marti, M. A., Capece, L., Crespo, A., Doctorovich, F., Estrin, D. A., Nitric oxide interaction with cytochrome c and its relevance to guanylate cyclase. Why does the iron histidine bond break? (2005) J. Am. Chem. Soc., 127, pp. 7721-7728

Case, D. A., The Amber biomolecular simulation programs (2005) J. Comput. Chem., 26, pp. 1668-1688

Berendsen, H. J. C., Postma, J. P. M., Van Gunsteren, W. F., Dinola, A., Haak, J. R., Molecular-dynamics with coupling to an external bath (1984) J. Chem. Phys., 81, pp. 3684-3690

Ryckaert, J. P., Ciccotti, G., Berendsen, H. J. C., Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes (1977) J. Comput. Phys., 23, pp. 327-341

Owen, M. C., Oekelford, P. A., Wells, R. M. G., Hb Howick [37 (C3) TRP GLY]: A new high oxygen affinity variant of the 1 2 contact (1993) Hemoglobin, 17, pp. 513-521

Hub, J. S., Kubitzki, M. B., De Groot, B. L., Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation (2010) PLoS Comput. Biol., 6, p. 1000774

Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study

NO binding to the T-state of human hemoglobin (HbA) induces the cleavage of the proximal His bonds to the heme iron in the alpha-chains, whereas it leaves the beta-hemes hexacoordinated. The structure of the nitrosylated T-state of the W37E beta mutant (W37E) shows that the Fe-His87 alpha bond remains intact. Exactly how mutation affects NO binding and why tension is apparent only in HbA alpha-heme remains to be elucidated. By means of density functional theory electronic structure calculations and classical molecular dynamics simulations we provide an explanation for the poorly understood NO binding properties of HbA and its W37E mutant. The data suggest an interplay between electronic effects, tertiary structure and hydration site modifications in determining the tension in the NO-ligated T-state HbA alpha-chain. (C) 2013 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study

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Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study

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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 (478 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 (78 views)
Chemphyschem (ISSN: 1439-4235linking, 1439-7641), 2018 Jul 5; 19 (13 ): 1635-1642.
Impact Factor: 3.502
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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 (269 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 (304 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 (233 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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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 (1466 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 (1108 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 (512 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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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? (334 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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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 (1304 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 (364 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 (321 views)
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.
Impact Factor: 4.722
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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 (390 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.
Impact Factor: 5.317
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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 (314 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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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 (98 views)
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.
Impact Factor: 4.351
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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 (574 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 (596 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 (569 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 (491 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 (405 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 (496 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 (471 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 (877 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 (462 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 (604 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 (604 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 (433 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 (689 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 (485 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 (853 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 (437 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 (349 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 (394 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 (393 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 (371 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 (1262 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 (444 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 (359 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 (421 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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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 (748 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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Nold-Petry CA, Rudloff I, Baumer Y, Ruvo M, Marasco D, Botti P, Farkas L, Cho SX, Zepp JA, Azam T, Dinkel H, Palmer BE, Boisvert WA, Cool CD, Taraseviciene-Stewart L, Heinhuis B, Joosten LA, Dinarello CA, Voelkel NF, Nold MF
* IL-32 Promotes Angiogenesis (846 views)
J Immunol (ISSN: 0022-1767), 2014 Jan 15; 192(2): 589-602.
Impact Factor: 4.922
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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 (520 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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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 (723 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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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 (704 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 (498 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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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 (419 views)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.
Impact Factor: 2.095
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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 (505 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 (700 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 (838 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.
Impact Factor: 3.06
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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 (507 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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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 (415 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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Scalia M, Satriano C, Greca R, Stella AM, Rizzarelli E, Spina-Purrello V
* PARP-1 inhibitors DPQ and PJ-34 negatively modulate proinflammatory commitment of human glioblastoma cells (425 views)
Neurochemical Research (ISSN: 1573-6903, 0364-3190), 2013 Jan; 38(1): 50-58.
Impact Factor: 2.551
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Merlino A, Fuchs MR, Pica A, Balsamo A, Dworkowski FSN, Pompidor G, Mazzarella L, Vergara A
* Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study (339 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jan; 69: 137-140.
Impact Factor: 7.232
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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 (739 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 (515 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 (755 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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Dolga AM, Letsche T, Gold M, Doti N, Bacher M, Chiamvimonvat N, Dodel R, Culmsee C
* Activation of KCNN3/SK3/K(Ca)2. 3 channels attenuates enhanced calcium influx and inflammatory cytokine production in activated microglia (557 views)
Glia (ISSN: 1098-1136), 2012 Dec; 60(12): 2050-2064.
Impact Factor: 5.466
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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 (479 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.
Impact Factor: 1.994
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Finetti F, Basile A, Capasso D, Di Gaetano S, Di Stasi R, Pascale M, Turco CM, Ziche M, Morbidelli L, D'Andrea LD
* Functional and pharmacological characterization of a VEGF mimetic peptide on reparative angiogenesis (607 views)
Biochem Pharmacol Biochemical Pharmacology (ISSN: 0006-2952, 1873-2968), 2012 Sep 1; 84(3): 303-311.
Impact Factor: 4.576
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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 (462 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 (346 views)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
Impact Factor: 0
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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 (417 views)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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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 (485 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.
Impact Factor: 3.142
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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 (521 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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Bucci M, Cigliano L, Vellecco V, D'Andrea LD, Ziaco B, Rossi A, Sautebin L, Carlucci A, Abrescia P, Pedone C, Ianaro A, Cirino G
* Apolipoprotein A-I (ApoA-I) mimetic peptide P2a by restoring cholesterol esterification unmasks ApoA-I anti-inflammatory endogenous activity in vivo (461 views)
J Pharmacol Exp Ther (ISSN: 1521-0103, 0022-3565), 2012 Mar; 340(3): 716-722.
Impact Factor: 3.891
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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 (540 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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Santulli G, Cipolletta E, Sorriento D, Del Giudice C, Anastasio A, Monaco S, Maione AS, Condorelli G, Puca A, Trimarco B, Illario M, Iaccarino G
* CaMK4 gene deletion induces hypertension (349 views)
J Am Heart Assoc Journal Of The American Heart Association (ISSN: 2047-9980), 2012; 1(4): N/D-N/D.
Impact Factor: 2.882
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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 (528 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 (302 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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Di Paola R, Impellizzeri D, Salinaro AT, Mazzon E, Bellia F, Cavallaro M, Cornelius C, Vecchio G, Calabrese V, Rizzarelli E, Cuzzocrea S
* Administration of carnosine in the treatment of acute spinal cord injury (656 views)
Biochem Pharmacol Biochemical Pharmacology (ISSN: 1873-2968, 0006-2952), 2011 Nov 15; 82(10): 1478-1489.
Impact Factor: 4.705
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Vitagliano L, Berisio R, De Simone A
* Role of hydration in collagen recognition by bacterial adhesins (665 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.
Impact Factor: 3.653
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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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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 (458 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 (497 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
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Spina-Purrello V, Giliberto S, Barresi V, Nicoletti VG, Giuffrida Stella AM, Rizzarelli E
* Modulation of PARP-1 and PARP-2 expression by L-carnosine and trehalose after LPS and INFγ-induced oxidative stress (450 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2010 Dec; 35(12): 2144-2153.
Impact Factor: 2.608
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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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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 (515 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2010 Oct 6; 99(7): 2273-2278.
Impact Factor: 4.218
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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 (720 views)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
Impact Factor: 3.129
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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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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 (507 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
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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 (402 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 (389 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 (690 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Impact Factor: 2.605
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Calabrese V, Cornelius C, Rizzarelli E, Owen JB, Dinkova-Kostova AT, Butterfield DA
* Nitric oxide in cell survival: a janus molecule (1121 views)
Antioxid Redox Signal (ISSN: 1557-7716, 1523-0864, 1523-0864linking), 2009 Nov; 11(11): 2717-2739.
Impact Factor: 7.581
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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 (407 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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Bonomo RP, Di Natale G, Rizzarelli E, Tabbì G, Vagliasindi LI
* Copper(II) complexes of prion protein PEG11-tetraoctarepeat fragment: spectroscopic and voltammetric studies (426 views)
Dalton T (ISSN: 1477-9226, 1477-7922, 1477-9234), 2009 Apr 14; (14): 2637-2646.
Impact Factor: 2.908
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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 (709 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (572 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
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Cittadini A, Monti MG, Castiello MC, D'Arco E, Galasso G, Sorriento D, Saldamarco L, De Paulis A, Napoli R, Iaccarino G, Saccà L
* Insulin-like growth factor-1 protects from vascular stenosis and accelerates re-endothelialization in a rat model of carotid artery injury (466 views)
J Thromb Haemost Journal Of Thrombosis And Haemostasis (ISSN: 1538-7933), 2009; 7(11): 1920-1928.
Impact Factor: 6.069
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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 (638 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 (449 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 (447 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 (395 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 (583 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 (324 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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Bonomo RP, Pappalardo G, Rizzarelli E, Tabbì G, Vagliasindi LI
* Studies of nitric oxide interaction with mono- and dinuclear copper(II) complexes of prion protein bis-octarepeat fragments (309 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2008 Sep 7; (29): 3805-3816.
Impact Factor: 3.58
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Dudar GK, D'Andrea LD, Di Stasi R, Pedone C, Wallace JL
* A vascular endothelial growth factor mimetic accelerates gastric ulcer healing in an iNOS-dependent manner (923 views)
Am J Physiol Gastrointest Liver Physiol American Journal Of Physiology Gastrointestinal And Liver Physiology (ISSN: 0193-1857), 2008 Sep; 295(2): G374-G381.
Impact Factor: 3.587
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De Simone A, Vitagliano L, Berisio R
* Role of hydration in collagen triple helix stabilization (380 views)
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.
Impact Factor: 2.648
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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 (828 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 (425 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
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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 (402 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? (401 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 (653 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 (1010 views)
Nature Reviews Neuroscience (ISSN: 1471-0048), 2007 Oct; 8(10): 766-775.
Impact Factor: 24.52
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Nicoletti VG, Santoro AM, Grasso G, Vagliasindi LI, Giuffrida ML, Cuppari C, Purrello VS, Stella AMG, Rizzarelli E
* Carnosine interaction with nitric oxide and astroglial cell protection (668 views)
Journal Of Neuroscience Research (ISSN: 0360-4012), 2007 Sep 1; 85(10): 2239-2245.
Impact Factor: 3.268
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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 (336 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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Cuzzocrea S, Genovese T, Failla M, Vecchio G, Fruciano M, Mazzon E, Di Paola R, Muià C, La Rosa C, Crimi N, Rizzarelli E, Vancheri C
* Protective effect of orally administered carnosine on bleomycin-induced lung injury (721 views)
Am J Physiol Lung Cell Mol Physiol (ISSN: 1040-0605), 2007 May; 292(5): L1095-L1095.
Impact Factor: 4.214
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (493 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 (609 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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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 (447 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 (798 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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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (768 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 (315 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 (627 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 (534 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 (575 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 (617 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
* Peptide-based molecules in angiogenesis (843 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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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 (273 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Cittadini A, Monti MG, Iaccarino G, Di Rella F, Tsichlis PN, Di Gianni A, Strömer H, Sorriento D, Peschle C, Trimarco B, Saccà L, Condorelli G
* Adenoviral gene transfer of Akt enhances myocardial contractility and intracellular calcium handling (582 views)
Gene Ther (ISSN: 0969-7128, 0969-7128linking), 2006; 13(1): 8-19.
Impact Factor: 4.782
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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 (319 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
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Calabrese V, Colombrita C, Guagliano E, Sapienza M, Ravagna A, Cardile V, Scapagnini G, Santoro AM, Mangiameli A, Butterfield DA, Giuffrida Stella AM, Rizzarelli E
* Protective effect of carnosine during nitrosative stress in astroglial cell cultures (680 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2005 Jun; 30(6-7): 797-807.
Impact Factor: 2.187
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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 (442 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 (446 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 (512 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 (605 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Paesano N, Marzocco S, Vicidomini C, Saturnino C, Autore G, De Martino G, Sbardella G
* Synthesis and biological evaluation of 3-benzyl-1-methyl- and 1-methyl-3-phenyl-isothioureas as potential inhibitors of iNOS (465 views)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Feb 1; 15(3): 539-543.
Impact Factor: 2.478
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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 (423 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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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 (509 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 (538 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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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 (742 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 (299 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 (298 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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Bonomo RP, Castronovo BM, Santoro AM
* A Spectroscopic Investigation Of The Interaction Between Nitrogen Monoxide And Copper Sites Of The Fungal Laccase From Rigidoporus Lignosus (288 views)
Dalton Trans, 2004 Jan 7; N/D: 104-112.
Impact Factor: 4.097
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Iaccarino G, Ciccarelli M, Sorriento D, Cipolletta E, Cerullo V, Iovino GL, Paudice A, Elia A, Santulli G, Campanile A, Arcucci O, Pastore L, Salvatore F, Condorelli G, Trimarco B
* AKT participates in endothelial dysfunction in hypertension (356 views)
Circulationcirculation (ISSN: 0009-7322), 2004; 109(21): 2587-2593.
Impact Factor: 12.563
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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 (409 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 (626 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 (545 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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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 (603 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.
Impact Factor: 2.733
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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 (382 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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Leosco D, Iaccarino G, Cipolletta E, De Santis D, Pisani E, Trimarco V, Ferrara N, Abete P, Sorriento D, Rengo F, Trimarco B
* Exercise restores β-adrenergic vasorelaxation in aged rat carotid arteries (334 views)
Am J Physiol Heart Circ Physiol American Journal Of Physiology Heart And Circulatory Physiology (ISSN: 0363-6135), 2003; 285(154-1): H369-H369.
Impact Factor: 3.658
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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 (384 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 (407 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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Esposito G, Ligresti A, Izzo AA, Bisogno T, Ruvo M, Di Rosa M, Di Marzo V, Iuvone T
* The endocannabinoid system protects rat glioma cells against HIV-1 Tat protein-induced cytotoxicity: Mechanism and regulation (570 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2002 Dec 27; 277(52): 50348-50354.
Impact Factor: 6.696
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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 (311 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 (476 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 (499 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 (345 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 (435 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 (454 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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Ogawa R, Pacelli R, Espey MG, Miranda KM, Friedman N, Kim SM, Cox G, Mitchell JB, Wink DA, Russo A
* Comparison of control of Listeria by nitric oxide redox chemistry from murine macrophages and no donors: Insights into listeriocidal activity of oxidative and nitrosative stress (776 views)
Free Radic Biol Med (ISSN: 0891-5849, 0891-5849linking, 1873-4596electronic), 2001 Feb 1; 30(3): 268-276.
Impact Factor: 5.082
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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 (493 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 (463 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 (461 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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Wink DA, Vodovotz Y, Grisham MB, DeGraff W, Cook JC, Pacelli R, Krishna M, Mitchell JB
Antioxidant effects of nitric oxide (351 views)
Method Enzymol (ISSN: 0076-6879, 1557-7988electronic), 1998; 301: 413-424.
Impact Factor: 2.823
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Cook JA, Krishna MC, Pacelli R, DeGraff W, Liebmann J, Mitchell JB, Russo A, Wink DA
Nitric oxide enhancement of melphalan-induced cytotoxicity (502 views)
Br J Cancer (ISSN: 0007-0920, 0007-0920print, 0007-0920linking), 1997 Sep; 76(3): 325-334.
Impact Factor: 2.938
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Wink DA, Cook JA, Kim SY, Vodovotz Y, Pacelli R, Krishna MC, Russo A, Mitchell JB, Jourd'heuil D, Miles AM, Grisham MB
Superoxide modulates the oxidation and nitrosation of thiols by nitric oxide-derived reactive intermediates (420 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 1997 Apr 25; 272(17): 11147-11151.
Impact Factor: 6.963
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Wink DA, Cook JA, Christodoulou D, Krishna MC, Pacelli R, Kim S, DeGraff W, Gamson J, Vodovotz Y, Russo A, Mitchell JB
Nitric oxide and some nitric oxide donor compounds enhance the cytotoxicity of cisplatin (483 views)
Nitric Oxide Biology And Chemistry (ISSN: 1089-8603), 1997 Feb; 1(1): 88-94.
Impact Factor: 2.151
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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 (382 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
Impact Factor: 2.425
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Wink DA, Cook JA, Pacelli R, DeGraff W, Gamson J, Liebmann J, Krishna MC, Mitchell JB
The effect of various nitric oxide-donor agents on hydrogen peroxide-mediated toxicity: A direct correlation between nitric oxide formation and protection (699 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 1996 Jul 15; 331(2): 241-248.
Impact Factor: 2.649
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Cook JA, Kim SY, Teague D, Krishna MC, Pacelli R, Mitchell JB, Vodovotz Y, Nims RW, Christodoulou D, Miles AM, Grisham MB, Wink DA
Convenient colorimetric and fluorometric assays for S-nitrosothiols (568 views)
Anal Biochem (ISSN: 0003-2697, 1096-0309electronic, 0003-2697linking), 1996 Jul 1; 238(2): 150-158.
Impact Factor: 2.017
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Pacelli R, Taira J, Cook JA, Wink DA, Krishna MC
Hydroxyurea reacts with heme proteins to generate nitric oxide [6] (369 views)
Lancet (ISSN: 0140-6736), 1996 Mar 30; 347(9005): 900-900.
Impact Factor: 16.135
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Wink DA, Hanbauer I, Grisham MB, Laval F, Nims RW, Laval J, Cook J, Pacelli R, Liebmann J, Krishna M, Ford PC, Mitchell JB
Chemical biology of nitric oxide: Regulation and protective and toxic mechanisms (816 views)
Current Topics In Cellular Regulation (ISSN: 0070-2137), 1996; 34: 159-187.
Impact Factor: 4.375
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Wink DA, Grisham MB, Miles AM, Nims RW, Krishna MC, Pacelli R, Teague D, Poore CM, Cook JA, Ford PC
Determination of selectivity of reactive nitrogen oxide species for various substrates (367 views)
Method Enzymol (ISSN: 0076-6879, 1557-7988electronic, 0076-6879linking), 1996; 268: 120-130.
Impact Factor: 2.435
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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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Wink DA, Cook JA, Pacelli R, Liebmann J, Krishna MC, Mitchell JB
Nitric oxide (NO) protects against cellular damage by reactive oxygen species (545 views)
Toxicology Letters (ISSN: 0378-4274), 1995 Dec; 82-3: 221-226.
Impact Factor: 1.128
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Pacelli R, Wink DA, Cook JA, Krishna MC, DeGraff W, Friedman N, Tsokos M, Samuni A, Mitchell JB
NITRIC-OXIDE POTENTIATES HYDROGEN PEROXIDE-INDUCED KILLING OF ESCHERICHIA-COLI (428 views)
Journal Of Experimental Medicine (ISSN: 0022-1007), 1995 Nov 1; 182(5): 1469-1479.
Impact Factor: 14.384
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Miles AM, Gibson MF, Kirshina M, Cook JC, Pacelli R, Wink D, Grisham MB
Effects of superoxide on nitric oxide-dependent n-nitrosation reactions (292 views)
Free Radic Res Free Radical Research (ISSN: 1071-5762), 1995 Oct; 23(4): 379-390.
Impact Factor: 2.361
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Vinci C, Caltabiano V, Santoro AM, Rabuazzo AM, Buscema M, Purrello R, Rizzarelli E, Vigneri R, Purrello F
Copper Addition Prevents The Inhibitory Effects Of Interleukin 1-Beta On Rat Pancreatic Islets (442 views)
Diabetologia, 1995 Jan; 38(1): 39-45.
Impact Factor: 0
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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 (401 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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233 Records (226 excluding Abstracts).
Total impact factor: 953.271 (910.839 excluding Abstracts).
Total 5 year impact factor: 988.848 (938.153 excluding Abstracts).

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