| 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 | 215 | 1991 |
| 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 | 208 | 1991 |
| 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 | 197 | 1992 |
| 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 | 187 | 2006 |
| 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 | 175 | 2000 |
| 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 | 167 | 2005 |
| 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 | 134 | 2014 |
| 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 | 96 | 2003 |
| 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 | 91 | 1996 |
| 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 | 83 | 2004 |
| 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 | 78 | 1992 |
| 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 | 75 | 2009 |
| 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 | 75 | 1992 |
| 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 | 74 | 2011 |
| 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 | 74 | 2004 |
| Helixcoil transitions re-visited HA Scheraga, JA Vila, DR Ripoll Biophysical chemistry 101, 255-265, 2002 | 70 | 2002 |
| 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 | 59 | 2008 |
| 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 | 59 | 2007 |
| 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 | 51 | 1998 |
| 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 | 42 | 2009 |
Osvaldo MartinIMASL-CONICETPatvirtintas el. paštas unsl.edu.ar
