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Jorge Vila
Jorge Vila
IMASL-CONICET-UNSL
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Empirical solvation models can be used to differentiate native from near‐native conformations of bovine pancreatic trypsin inhibitor
J Vila, RL Williams, M Vasquez, HA Scheraga
Proteins: Structure, Function, and Bioinformatics 10 (3), 199-218, 1991
2181991
A comparative study of the simulated‐annealing and Monte Carlo‐with‐minimization approaches to the minimum‐energy structures of polypeptides:[Met]‐enkephalin
A Nayeem, J Vila, HA Scheraga
Journal of Computational Chemistry 12 (5), 594-605, 1991
2061991
MSEED: A program for the rapid analytical determination of accessible surface areas and their derivatives
G Perrot, B Cheng, KD Gibson, J Vila, KA Palmer, A Nayeem, B Maigret, ...
Journal of Computational Chemistry 13 (1), 1-11, 1992
1911992
Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins
J Makowska, S Rodziewicz-Motowidło, K Bagińska, JA Vila, A Liwo, ...
Proceedings of the National Academy of Sciences 103 (6), 1744-1749, 2006
1842006
Physical reasons for the unusual α-helix stabilization afforded by charged or neutral polar residues in alanine-rich peptides
JA Vila, DR Ripoll, HA Scheraga
Proceedings of the National Academy of Sciences 97 (24), 13075-13079, 2000
1732000
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests
S Ołdziej, C Czaplewski, A Liwo, M Chinchio, M Nanias, JA Vila, M Khalili, ...
Proceedings of the National Academy of Sciences 102 (21), 7547-7552, 2005
1652005
Electrostatic unfolding and interactions of albumin driven by pH changes: a molecular dynamics study
K Baler, OA Martín, MA Carignano, GA Ameer, JA Vila, I Szleifer
The journal of physical chemistry B 118 (4), 921-930, 2014
1232014
Atomically detailed folding simulation of the B domain of staphylococcal protein A from random structures
JA Vila, DR Ripoll, HA Scheraga
Proceedings of the National Academy of Sciences 100 (25), 14812-14816, 2003
952003
Coupling between folding and ionization equilibria: effects of pH on the conformational preferences of polypeptides
DR Ripoll, YN Vorobjev, A Liwo, JA Vila, HA Scheraga
Journal of molecular biology 264 (4), 770-783, 1996
911996
Folding of the villin headpiece subdomain from random structures. Analysis of the charge distribution as a function of pH
DR Ripoll, JA Vila, HA Scheraga
Journal of molecular biology 339 (4), 915-925, 2004
822004
The intrinsic helix-forming tendency of L-alanine.
J Vila, RL Williams, JA Grant, J Wojcik, HA Scheraga
Proceedings of the National Academy of Sciences 89 (16), 7821-7825, 1992
781992
Empirical solvation models in the context of conformational energy searches: Application to bovine pancreatic trypsin inhibitor
RL Williams, J Vila, G Perrot, HA Scheraga
Proteins: Structure, Function, and Bioinformatics 14 (1), 110-119, 1992
761992
Quantum-mechanics-derived 13Cα chemical shift server (CheShift) for protein structure validation
JA Vila, YA Arnautova, OA Martin, HA Scheraga
Proceedings of the National Academy of Sciences 106 (40), 16972-16977, 2009
752009
Polyproline II helix conformation in a proline-rich environment: a theoretical study
JA Vila, HA Baldoni, DR Ripoll, A Ghosh, HA Scheraga
Biophysical journal 86 (2), 731-742, 2004
712004
Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH
JA Vila, YA Arnautova, Y Vorobjev, HA Scheraga
Proceedings of the National Academy of Sciences 108 (14), 5602-5607, 2011
702011
Helix–coil transitions re-visited
HA Scheraga, JA Vila, DR Ripoll
Biophysical chemistry 101, 255-265, 2002
702002
Quantum chemical 13Cα chemical shift calculations for protein NMR structure determination, refinement, and validation
JA Vila, JM Aramini, P Rossi, A Kuzin, M Su, J Seetharaman, R Xiao, ...
Proceedings of the National Academy of Sciences 105 (38), 14389-14394, 2008
592008
Further evidence for the absence of polyproline II stretch in the XAO peptide
J Makowska, S Rodziewicz-Motowidło, K Baginska, M Makowski, JA Vila, ...
Biophysical journal 92 (8), 2904-2917, 2007
592007
Role of hydrophobicity and solvent-mediated charge-charge interactions in stabilizing α-helices
JA Vila, DR Ripoll, ME Villegas, YN Vorobjev, HA Scheraga
Biophysical Journal 75 (6), 2637-2646, 1998
521998
Assessing the Accuracy of Protein Structures by Quantum Mechanical Computations of 13Cα Chemical Shifts
JA Vila, HA Scheraga
Accounts of chemical research 42 (10), 1545-1553, 2009
422009
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Artículos 1–20