Jordi Villà Freixa
Jordi Villà Freixa
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TítuloCitado porAño
Energetics and dynamics of enzymatic reactions
J Villa, A Warshel
The Journal of Physical Chemistry B 105 (33), 7887-7907, 2001
3772001
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
2762007
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
2442002
How important are entropic contributions to enzyme catalysis?
J Villa, M Štrajbl, TM Glennon, YY Sham, ZT Chu, A Warshel
Proceedings of the National Academy of Sciences 97 (22), 11899-11904, 2000
1982000
Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions
Y Kim, JC Corchado, J Villa, J Xing, DG Truhlar
The Journal of Chemical Physics 112 (6), 2718-2735, 2000
1752000
Calculations of activation entropies of chemical reactions in solution
M Strajbl, YY Sham, J Villa, ZT Chu, A Warshel
The Journal of Physical Chemistry B 104 (18), 4578-4584, 2000
1662000
How does GAP catalyze the GTPase reaction of Ras?: a computer simulation study
TM Glennon, J Villa, A Warshel
Biochemistry 39 (32), 9641-9651, 2000
1642000
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 Villa, J Florián
Biochemistry 39 (48), 14728-14738, 2000
1542000
Quantum mechanical dynamical effects in an enzyme-catalyzed proton transfer reaction
C Alhambra, J Gao, JC Corchado, J Villa, DG Truhlar
Journal of the American Chemical Society 121 (10), 2253-2258, 1999
1541999
How much do enzymes really gain by restraining their reacting fragments?
A Shurki, M Štrajbl, J Villa, A Warshel
Journal of the American Chemical Society 124 (15), 4097-4107, 2002
1382002
Variational transition state theory without the minimum-energy path
J Villa, DG Truhlar
Theoretical Chemistry Accounts 97 (1-4), 317-323, 1997
1091997
Simulations of ion current in realistic models of ion channels: the KcsA potassium channel
A Burykin, CN Schutz, J Villa, A Warshel
Proteins: Structure, Function, and Bioinformatics 47 (3), 265-280, 2002
1062002
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
902009
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota: Minneapolis, MN, 2010
802010
Framework‐based design of a new all‐purpose molecular simulation application: The Adun simulator
MA Johnston, IF Galván, J Villà‐Freixa
Journal of computational chemistry 26 (15), 1647-1659, 2005
682005
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
672012
Understanding the activation energy trends for the reaction by using canonical variational transition state theory
J Villa, A González-Lafont, JM Lluch, JC Corchado, J Espinosa-Garcıa
The Journal of chemical physics 107 (18), 7266-7274, 1997
561997
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, IM de Mas, N Turan, ...
BMC systems biology 5 (1), 38, 2011
532011
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
492001
POLYRATE, version 8.5. 1
JC Corchado, YY Chuang, PL Fast, J Villa, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis 74, 2000
462000
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