Jordi Villà i Freixa
Jordi Villà i Freixa
Universitat Internacional de Catalunya
Verified email at - Homepage
TitleCited byYear
Energetics and dynamics of enzymatic reactions
J Villa, A Warshel
The Journal of Physical Chemistry B 105 (33), 7887-7907, 2001
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota: Minneapolis, MN, 2007
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
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
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
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
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
Polyrate, version 2010-a
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis 38, 2010
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
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
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
POLYRATE, version 8.4. 1
YY Chuang, JC Corchado, PL Fast, J Villà, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2000
Variational transition state theory without the minimum-energy path
J Villà, DG Truhlar
Theoretical Chemistry Accounts: Theory, Computation, and Modeling …, 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
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
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota: Minneapolis, MN, 2010
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
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
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
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
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