| POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 1198* | 2007 |
| Energetics and dynamics of enzymatic reactions J Villà, A Warshel The Journal of Physical Chemistry B 105 (33), 7887-7907, 2001 | 421 | 2001 |
| The incorporation of quantum effects in enzyme kinetics modeling DG Truhlar, J Gao, C Alhambra, M Garcia-Viloca, J Corchado, ... Accounts of chemical research 35 (6), 341-349, 2002 | 271 | 2002 |
| How important are entropic contributions to enzyme catalysis? J Villà, M Štrajbl, TM Glennon, YY Sham, ZT Chu, A Warshel Proceedings of the National Academy of Sciences 97 (22), 11899-11904, 2000 | 231 | 2000 |
| How does GAP catalyze the GTPase reaction of Ras?: A computer simulation study TM Glennon, J Villà, A Warshel Biochemistry 39 (32), 9641-9651, 2000 | 194 | 2000 |
| Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions Y Kim, JC Corchado, J Villà, J Xing, DG Truhlar The Journal of Chemical Physics 112 (6), 2718-2735, 2000 | 192 | 2000 |
| Calculations of activation entropies of chemical reactions in solution M Strajbl, YY Sham, J Villà, ZT Chu, A Warshel The Journal of Physical Chemistry B 104 (18), 4578-4584, 2000 | 189 | 2000 |
| Remarkable rate enhancement of orotidine 5 ‘-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization A Warshel, M Štrajbl, J Villà, J Florián Biochemistry 39 (48), 14728-14738, 2000 | 177 | 2000 |
| Quantum mechanical dynamical effects in an enzyme-catalyzed proton transfer reaction C Alhambra, J Gao, JC Corchado, J Villà, DG Truhlar Journal of the American Chemical Society 121 (10), 2253-2258, 1999 | 170 | 1999 |
| How much do enzymes really gain by restraining their reacting fragments? A Shurki, M Štrajbl, J Villà, A Warshel Journal of the American Chemical Society 124 (15), 4097-4107, 2002 | 156 | 2002 |
| Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation FX Guix, G Ill-Raga, R Bravo, T Nakaya, G de Fabritiis, M Coma, ... Brain 132 (5), 1335-1345, 2009 | 120 | 2009 |
| Variational transition state theory without the minimum-energy path J Villà, DG Truhlar Theoretical Chemistry Accounts 97 (1), 317-323, 1997 | 120 | 1997 |
| Simulations of ion current in realistic models of ion channels: the KcsA potassium channel A Burykin, CN Schutz, J Villà, A Warshel Proteins: Structure, Function, and Bioinformatics 47 (3), 265-280, 2002 | 114 | 2002 |
| New model of cystic fibrosis transmembrane conductance regulator proposes active channel-like conformation J Dalton, O Kalid, M Schushan, N Ben-Tal, J Villà-Freixa Journal of chemical information and modeling 52 (7), 1842-1853, 2012 | 86 | 2012 |
| Knowledge management for systems biology a general and visually driven framework applied to translational medicine D Maier, W Kalus, M Wolff, SG Kalko, J Roca, I Marin de Mas, N Turan, ... BMC systems biology 5, 1-16, 2011 | 67 | 2011 |
| Chromatin-bound IκBα regulates a subset of polycomb target genes in differentiation and cancer MC Mulero, D Ferres-Marco, A Islam, P Margalef, M Pecoraro, A Toll, ... Cancer cell 24 (2), 151-166, 2013 | 64 | 2013 |
| Understanding the activation energy trends for the C 2 H 4+ OH→ C 2 H 4 OH reaction by using canonical variational transition state theory J Villà, A González-Lafont, JM Lluch, JC Corchado, J Espinosa-Garcıa The Journal of chemical physics 107 (18), 7266-7274, 1997 | 59 | 1997 |
| Circe effect versus enzyme preorganization: what can be learned from the structure of the most proficient enzyme? A Warshel, J Florián, M Štrajbl, J Villà ChemBioChem 2 (2), 109-111, 2001 | 54 | 2001 |
| Variational transition-state theory with optimized orientation of the dividing surface and semiclassical tunneling calculations for deuterium and muonium kinetic isotope … J Villa, JC Corchado, A Gonzalez-Lafont, JM Lluch, DG Truhlar The Journal of Physical Chemistry A 103 (26), 5061-5074, 1999 | 51 | 1999 |
| Methylglyoxal produced by amyloid-β peptide-induced nitrotyrosination of triosephosphate isomerase triggers neuronal death in Alzheimer's disease M Tajes, A Eraso-Pichot, F Rubio-Moscardó, B Guivernau, ... Journal of Alzheimer's Disease 41 (1), 273-288, 2014 | 49 | 2014 |
Donald TruhlarUniversity of Minnesota在 umn.edu 的电子邮件经过验证
