متابعة
Jordi Villà i Freixa (ORCID:0000-0002-6359-3929)
Jordi Villà i Freixa (ORCID:0000-0002-6359-3929)
Full professor Universitat de Vic - Universitat Central de Catalunya (grid.440820.a /ROR 006zjws59)
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عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
1153*2007
Energetics and dynamics of enzymatic reactions
J Villà, A Warshel
The Journal of Physical Chemistry B 105 (33), 7887-7907, 2001
4302001
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
2722002
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
2302000
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
1972000
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
1942000
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
1912000
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
1772000
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
1721999
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
1602002
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
1302009
Variational transition state theory without the minimum-energy path
J Villà, DG Truhlar
Theoretical Chemistry Accounts 97 (1), 317-323, 1997
1201997
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
1142002
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
892012
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
712011
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
622013
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
591997
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
542001
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
512014
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
511999
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مقالات 1–20