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Collegamenti



Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (93 visite)

Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R

J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2014 Sep 6; 136(31): 10838-10841.

Tipo di articolo: Journal Article, Research Support, Non-U. S. Gov'T,

Impact factor: 12.113

Impact factor a 5 anni: 11.726


Parole chiave: Alkylation, Dimers, Electric Excitation, Mass Spectrometry, Molecular Dynamics, Computational Studies, Conformational Equilibrium, Electronic Excited State, Experimental Techniques, Natural Process, Optical Spectroscopy, Theoretical Methods, Uv-Induced Dna Damage, Dna Sequences,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84905674437&partnerID=40&md5=9d1060cdd3002d4df021987f61ddf5ae

DNA methylation, occurring at the 5 position of cytosine, is a natural process associated with mutational hotspots in skin tumors. By combining experimental techniques (optical spectroscopy, HPLC coupled to mass spectrometry) with theoretical methods (molecular dynamics, DFT/TD-DFT calculations in solution), we study trinucleotides with key sequences (TCG/T5mCG) in the UV-induced DNA damage. We show how the extra methyl, affecting the conformational equilibria and, hence, the electronic excited states, increases the quantum yield for the formation of cyclobutane dimers while reducing that of (6-4) adducts. © 2014 American Chemical Society.
*** IBB - CNR ***

Istituto di Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy

CNRS, IRAMIS, Laboratoire Francis Perrin, F-91191 Gif-sur-Yvette, France

INAC-LCIB, INAC-SCIB, LAN Université Grenoble Alpes, F-38000 Grenoble, France
Klose, R.J., Bird, A.P., (2006) Trends Biochem. Sci., 31, p. 8

Friso, S., Choi, S.W., Dolnikowski, G.G., Selhub, J., (2002) Anal. Chem., 74, p. 4526

Denissenko, M.F., Chen, J.X., Tang, M.S., Pfeifer, G.P., (1997) Proc. Natl. Acad. Sci. U.S.A., 94, p. 3893

Pfeifer, G.P., You, Y.H., Besaratinia, A., (2005) Mutat. Res., 571, p. 19

Vu, B., Cannistraro, V.J., Sun, L., Taylor, J.S., (2006) Biochemistry, 45, p. 9327

Song, Q., Sherrer, S.M., Suo, Z., Taylor, J.S., (2012) J. Biol. Chem., 287, p. 8021

You, Y.H., Li, C., Pfeifer, G.P., (1999) J. Mol. Biol., 293, p. 493

Rochette, P.J., Lacoste, S., Therrien, J.P., Bastien, N., Brash, D.E., Drouin, R., (2009) Mutat. Res., 665, p. 7

Markovitsi, D., Gustavsson, T., Banyasz, A., (2010) Mutat. Res., 704, p. 21

Tommasi, S., Denissenko, M.F., Pfeifer, G.P., (1997) Cancer Res., 57, p. 4727

Cannistraro, V.J., Taylor, J.S., (2009) J. Mol. Biol., 392, p. 1145

Sharonov, A., Gustavsson, T., Marguet, S., Markovitsi, D., (2003) Photochem. Photobiol. Sci., 2, p. 362

Onidas, D., Markovitsi, D., Marguet, S., Sharonov, A., Gustavsson, T., (2002) J. Phys. Chem. B, 106, p. 11367

Lavery, R., Zakrzewska, K., Beveridge, D., Bishop, T.C., Case, D.A., Cheatham, T., Dixit, S., Sponer, J., (2010) Nucleic Acids Res., 38, p. 299

Banyasz, A., Douki, T., Improta, R., Gustavsson, T., Onidas, D., Vaya, I., Perron, M., Markovitsi, D., (2012) J. Am. Chem. Soc., 134, p. 14834

Improta, R., (2012) J. Phys. Chem. B, 116, p. 14261

Gustavsson, T., Improta, R., Markovitsi, D., (2010) J. Phys. Chem. Lett., 1, p. 2025

Law, Y.K., Azadi, J., Crespo-Hernandez, C.E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, p. 3590

McCullagh, M., Hariharan, M., Lewis, F.D., Markovitsi, D., Douki, T., Schatz, G.C., (2010) J. Phys. Chem. B, 114, p. 5215

Boggio-Pasqua, M., Groenhof, G., Schafer, L.V., Grubmuller, H., Robb, M.A., (2007) J. Am. Chem. Soc., 129, p. 10996

Blancafort, L., Migani, A., (2007) J. Am. Chem. Soc., 129, p. 14540

Serrano-Perez, J.J., Gonzalez-Ramirez, I., Coto, P.B., Merchan, M., Serrano-Andres, L., (2008) J. Phys. Chem. B, 112, p. 14096

Desnous, C., Babu, B.R., McIriou, C., Mayo, J.U.O., Favre, A., Wengel, J., Clivio, P., (2008) J. Am. Chem. Soc., 130, p. 30

Hariharan, M., McCullagh, M., Schatz, G.C., Lewis, F.D., (2010) J. Am. Chem. Soc., 132, p. 15831

Douki, T., Cadet, J., (1994) Biochemistry, 33, p. 11942

Temiz, N.A., Donohue, D.E., Bacolla, A., Luke, B.T., Collins, J.R., (2012) PLoS One, 7, p. 35558

Klose, R. J., Bird, A. P., (2006) Trends Biochem. Sci., 31, p. 8

Friso, S., Choi, S. W., Dolnikowski, G. G., Selhub, J., (2002) Anal. Chem., 74, p. 4526

Denissenko, M. F., Chen, J. X., Tang, M. S., Pfeifer, G. P., (1997) Proc. Natl. Acad. Sci. U. S. A., 94, p. 3893

Pfeifer, G. P., You, Y. H., Besaratinia, A., (2005) Mutat. Res., 571, p. 19

You, Y. H., Li, C., Pfeifer, G. P., (1999) J. Mol. Biol., 293, p. 493

Rochette, P. J., Lacoste, S., Therrien, J. P., Bastien, N., Brash, D. E., Drouin, R., (2009) Mutat. Res., 665, p. 7

Law, Y. K., Azadi, J., Crespo-Hernandez, C. E., Olmon, E., Kohler, B., (2008) Biophys. J., 94, p. 3590

Serrano-Perez, J. J., Gonzalez-Ramirez, I., Coto, P. B., Merchan, M., Serrano-Andres, L., (2008) J. Phys. Chem. B, 112, p. 14096

Temiz, N. A., Donohue, D. E., Bacolla, A., Luke, B. T., Collins, J. R., (2012) PLoS One, 7, p. 35558

Nessun risultato.


Contiene: [X]      Estesa  

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* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (19 visite)
Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.
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* Chemoselective Glycosylation of Peptides via S-Alkylation Reaction (74 visite)
De Luca S, Calce E, Manchise V, Saviano M, Digilio G
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Feb 19; N/D: N/D-N/D.
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* Ultra-performance liquid chromatography/multiple reaction monitoring mass spectrometry quantification of trastuzumab in human serum by selective monitoring of a specific peptide marker from the antibody complementarity-determining regions (33 visite)
Russo R, Rega C, Caporale A, Tonon G, Scaramuzza S, Selis F, Ruvo M, Chambery A
Rapid Commun Mass Spectrom (ISSN: 1097-0231electronic, 0951-4198linking), 2017 Jul 30; 31(14): 1184-1192.
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* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (67 visite)
Barone D, Balasco N, Autiero I, Vitagliano L
J Biomol Struct Dyn (ISSN: 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.
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* The Cysteine S-Alkylation Reaction as a Synthetic Method to Covalently Modify Peptide Sequences (88 visite)
Calce E, De Luca S
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2016 Aug 19; 22: 1-11.
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* Microwave heating in peptide side chain modification via cysteine alkylation (69 visite)
Calce E, De Luca S
Amino Acids (ISSN: 1438-2199electronic, 0939-4451linking), 2016 Jun 28; 48: 2267-2271.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Solid-Phase S-Alkylation Promoted by Molecular Sieves (75 visite)
Calce E, Leone M, Mercurio FA, Monfregola L, De Luca S
Org Lett (ISSN: 1523-7052electronic, 1523-7052linking, 1523-7060), 2015 Nov 20; 17(22): 5646-5649.
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* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (133 visite)
Autiero I, Saviano M, Langella E
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2015 Feb 16; 91: 109-117.
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* Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations (131 visite)
Balasco N, Barone D, Vitagliano L
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic), 2015 Jan 12; 33(10): 2173-2179.
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Simultaneous quantification of amino acids and Amadori products in foods through ion-pairing liquid chromatography-high-resolution mass spectrometry (154 visite)
Troise AD, Fiore A, Roviello GN, Monti SM, Fogliano V
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015 Jan; 47(1): 111-124.
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* Excited States behavior of nucleobases in solution: insights from computational studies (85 visite)
Improta R, Barone V
Topics In Current Chemistry (ISSN: 0340-1022), 2015; 355: 329-357.
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* Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts (83 visite)
Messori L, Marzo T, Merlino A
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; N/D: N/D-N/D.
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* Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study (97 visite)
Carbonniere P, Pouchan C, Improta R
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.
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* Molecular dynamics: New advances in drug discovery (97 visite)
Milardi D, Pappalardo M
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2015; 91: 1-3.
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* Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study (137 visite)
Lolicato F, Raudino A, Milardi D, La Rosa C
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2015; 92: 876-881.
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* Lipidated Peptides Via Post-Synthetic Thioalkylation Promoted By Molecular Sieves (114 visite)
Calce E, Leone M, Monfregola L, De Luca S
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2014; 46(8): 1899-1905.
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* 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 (112 visite)
Autiero I, Saviano M, Langella E
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(5): 1868-1874.
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* The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study (108 visite)
Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
Biochimica Et Biophysica Acta-Biomembranes (ISSN: 0005-2736, 0006-3002e), 2013 Nov; 1828(11): 2637-2645.
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* Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses (92 visite)
Squeglia F, Romanò MF, Ruggiero A, Vitagliano L, De Simone A, Berisio R
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
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* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (134 visite)
De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
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* Chemical Modifications Of Peptide Sequences Via S-Alkylation Reaction (96 visite)
Calce E, Leone M, Monfregola L, De Luca S
Org Lett (ISSN: 1523-7060, 1523-7052, 1523-7052electronic), 2013; 15(20): 5354-5357.
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* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (114 visite)
Autiero I, Langella E, Saviano M
Molecular Biosystems (ISSN: 1742-206x, 1742-2206), 2013; 9(11): 2835-2841.
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* De novo sequencing and characterization of a novel Bowman Birk inhibitor from Lathyrus sativus L. seeds by electrospray mass spectrometry (100 visite)
Tamburino R, Severino V, Sandomenico A, Ruvo M, Parente A, Chambery A, Di Maro A
(ISSN: 1742-206x), 2012 Oct 30; 8(12): 3232-3241.
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* Postsynthetic modification of peptides via chemoselective N-alkylation of their side chains (113 visite)
Monfregola L, Leone M, Calce E,  de Luca S
Org Lett (ISSN: 1523-7060, 1523-7052, 1523-7052electronic), 2012 Apr 6; 14(7): 1664-1667.
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* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (97 visite)
Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
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* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (84 visite)
Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
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* Synthetic strategy for side chain mono-N-alkylation of Fmoc-amino acids promoted by molecular sieves (161 visite)
Monfregola L, De Luca S
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2011 Oct; 41(4): 981-990.
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* Spatially resolved mass spectrometry in the study of art and archaeological objects (63 visite)
Spoto G, Grasso G
Trac Trends In Analytical Chemistry (ISSN: 0165-9936), 2011 Jun; 30(6): 856-863.
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* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (78 visite)
Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
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* Quantification of thyrotropin-releasing hormone by liquid chromatography-electrospray mass spectrometry (107 visite)
Chambery A, Severino V, Di Maro A, D'Aniello A, Ruvo M, Parente A
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2010 Apr; 38(4): 1031-1041.
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* In situ identification of organic components of ink used in books from the 1900s by atmospheric pressure matrix assisted laser desorption ionization mass spectrometry (133 visite)
Giurato P, Candura A, Grasso G, Spoto G
Appl Phys A (ISSN: 0947-8396), 2009 Nov; 97(2): 263-269.
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* The proteolytic activity of insulin-degrading enzyme: a mass spectrometry study (89 visite)
Grasso G, Rizzarelli E, Spoto G
J Mass Spectrom Journal Of Mass Spectrometry (ISSN: 1096-9888, 1076-5174), 2009 May; 44(5): 735-741.
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* Enzyme solid-state support assays: a surface plasmon resonance and mass spectrometry coupled study of immobilized insulin degrading enzyme (124 visite)
Grasso G, Bush AI, D'Agata R, Rizzarelli E, Spoto G
Eur Biophys J (ISSN: 1432-1017, 0175-7571), 2009 Apr; 38(4): 407-414.
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* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (102 visite)
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
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
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* Molecular dynamics studies of the P pilus rod subunit PapA (90 visite)
Vitagliano L, Ruggiero A, Pedone C, Berisio R
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
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* A mass spectrometry and surface enhanced Raman spectroscopy study of the interaction between linear carbon chains and noble metals (113 visite)
Grasso G, D'Urso L, Messina E, Cataldo F, Puglisi O, Spoto G, Compagnini G
Carbon (ISSN: 0008-6223), 2009; 47(11): 2611-2619.
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* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (120 visite)
Vitagliano L, Esposito L, Pedone C, De Simone A
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
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* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (102 visite)
Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
Chemical Physics Letters (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
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* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (93 visite)
De Simone A, Esposito L, Pedone C, Vitagliano L
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
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* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (91 visite)
Esposito L, Paladino A, Pedone C, Vitagliano L
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.
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* Atmospheric Pressure Laser Desorption Mass Spectrometry based methods for the study of traditional painting materials (75 visite)
Licciardello MP, D'Agata R, Grasso G, Simone S, Spoto G
Lasers Conserv Artworks Proc Int Conf Lacona Vii (ISSN: 9780-4154), 2008; N/D: 67-72.
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* 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 (104 visite)
Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
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* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (88 visite)
Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
Chemical Physics Letters (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
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* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (119 visite)
Vitagliano L, Ruggiero A, Pedone C, Berisio R
J Mol Biol Journal Of Molecular Biology (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
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* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (90 visite)
Pappalardo M, Milardi D, Grasso D, La Rosa C
New Journal Of Chemistry (ISSN: 1144-0546), 2007; 31(6): 901-905.
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* The use of atmospheric pressure laser desorption mass spectrometry for the study of iron-gall ink (95 visite)
D'Agata R, Grasso G, Parlato S, Simone S, Spoto G
Appl Phys A (ISSN: 0947-8396), 2007; 89(1): 91-95.
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* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (126 visite)
Esposito L, Pedone C, Vitagliano L
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
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* 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 (137 visite)
Langella E, Improta R, Crescenzi O, Barone V
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
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* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (109 visite)
Merlino A, Esposito L, Vitagliano L
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
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* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (159 visite)
De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
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* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (97 visite)
Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2005 May 6; 280(18): 17953-17960.
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* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (82 visite)
Esposito L, Daggett V
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
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* 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 (114 visite)
Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
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* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (102 visite)
Langella E, Improta R, Barone V
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
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* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (87 visite)
Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
Chemical Physics Letters (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
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* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (93 visite)
Pappalardo M, Milardi D, Grasso DM, La Rosa C
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
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* Global and local motions in ribonuclease A: A molecular dynamics study (87 visite)
Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
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* Analysis of bacterial lipodepsipeptides by matrix-assisted laser desorption/ionisation time-of-flight and high-performance liquid chromatography with electrospray mass spectrometry (84 visite)
Monti SM, Gallo M, Ferracane R, Borrelli RC, Ritieni A, Greco ML, Graniti A, Fogliano V
Rapid Commun Mass Spectrom (ISSN: 0951-4198), 2001; 15(8): 623-628.
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Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (79 visite)
Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
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59 Records (59 escludendo Abstract e Conferenze).
Impact factor totale: 218.692 (218.692 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 211.466 (211.466 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Alkylation" OR [btitle] "Electric Excitation" OR [btitle] "Mass Spectrometry" OR [btitle] "Molecular Dynamics" OR [btitle] "Computational Studies") AND NOT [id] = 11566)







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