Jordi Villà i Freixa (ORCID:0000-0002-6359-3929)

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Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
Yao-Yuan ChuangAssitant Professor of Applied Chemistry, National University of KaohsiungVerified email at nuk.edu.tw
E. Laura CoitiñoProf. de Química Teórica&Computacional, Instituto de Quím. Biológica-Fac.Ciencias, UdelaRVerified email at fcien.edu.uy
Ivan RossiDept. of Medical Sciences, University of TurinVerified email at unito.it
Antonio Fernandez-RamosAssociate Professor, University of Santiago de CompostelaVerified email at usc.es
Benjamin J. LynchUniversity of MinnesotaVerified email at umn.edu
Kiet A. NguyenAir Force Research LaboratoryVerified email at afresearchlab.com
Yongho KimKyung Hee UniversityVerified email at khu.ac.kr
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaVerified email at jialigao.org
Gianni De FabritiisComputational Science Laboratory, Icrea Research Professor, Acellera twitter:@gdefabritiisVerified email at upf.edu
Jan FlorianLoyola University ChicagoVerified email at luc.edu
FRANCISCO JOSE MUÑOZ LOPEZVerified email at upf.edu
Avital ShurkiAssociate Professor, The Hebrew University of JerusalemVerified email at mail.huji.ac.il
Gian Pietro MiscioneUniversidad de los AndesVerified email at uniandes.edu.co
Yuk Sham PhDUniversity of MinnesotaVerified email at umn.edu
Ferran SanzDirector, Research Programme on Biomedical Informatics (GRIB), IMIM, Universitat Pompeu Fabra, BarcelonaVerified email at imim.es
Jose C. CorchadoUniversidad de Extremadura, University of MinnesotaVerified email at unex.es
Martin Floor PilquilBarcelona Supercomputing CenterVerified email at bsc.es
James A.R. DaltonRonin Institute, NJ, USAVerified email at ronininstitute.org
Michael JohnstonIBM Research EuropeVerified email at ie.ibm.com

Jordi Villà i Freixa (ORCID:0000-0002-6359-3929)

Universitat de Vic - Universitat Central de Catalunya (grid.440820.a /ROR 006zjws59)

Verified email at uvic.cat - Homepage

Computational Biochemistry


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Energetics and dynamics of enzymatic reactions J Villà, A Warshel The Journal of Physical Chemistry B 105 (33), 7887-7907, 2001	413	2001
POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007	348*	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	267	2002
POLYRATE-version 2008 J Zheng http://comp. chem. umn. edu/polyrate/, 2008	266	2008
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	237	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	188	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	187	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	183	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	173	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	151	2002
Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ... University of Minnesota, Minneapolis, 1999	132	1999
Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, 2010	120	2010
Variational transition state theory without the minimum-energy path J Villà, DG Truhlar Theoretical Chemistry Accounts 97 (1), 317-323, 1997	117	1997
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	110	2009
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	110	2002
Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017	108	2017
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	84	2012
Polyrate 2010-a J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, MN, 2010	68	2010
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	64	2011

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