José M. Lluch

Publication Activity (10 Years)

Years Active: 1994-2014
Publications (10 Years): 0

Top Topics

Protein Sequences

Top Venues

J. Comput. Aided Mol. Des.

Publications

Ayax Pérez-Gallegos, Mireia Garcia-Viloca, Àngels González-Lafont, José M. Lluch
A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutant. J. Comput. Aided Mol. Des. 28 (11) (2014)
Lea Toledo, Laura Masgrau, José M. Lluch, Àngels González-Lafont
Substrate binding to mammalian 15-lipoxygenase. J. Comput. Aided Mol. Des. 25 (9) (2011)
Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch
. J. Comput. Chem. 32 (10) (2011)
Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch
: A theoretical study. J. Comput. Chem. 30 (2) (2009)
Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch
in the addition channel of the OH-initiated DMS oxidation: A theoretical study. J. Comput. Chem. 30 (9) (2009)
Manuel Montenegro, Mireia Garcia-Viloca, Àngels González-Lafont, José M. Lluch
Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrate. J. Comput. Aided Mol. Des. 21 (10-11) (2007)
Ismael Tejero, Àngels González-Lafont, José M. Lluch
A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1. J. Comput. Chem. 28 (6) (2007)
Núria González-García, Àngels González-Lafont, José M. Lluch
Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OH. J. Comput. Chem. 26 (6) (2005)
Ricard Casadesús, Miquel Moreno, Àngels González-Lafont, José M. Lluch, Matthew P. Repasky
Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistry. J. Comput. Chem. 25 (1) (2004)
Laura Masgrau, Àngels González-Lafont, José M. Lluch
Dependence of the rate constants on the treatment of internal rotation modes: The reaction OH + CH3SH CH3S + H2O as an example. J. Comput. Chem. 24 (6) (2003)
Jordi Villá, Jörg Bentzien, Àngels González-Lafont, José M. Lluch, Juan Bertrán, Arieh Warshel
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions. J. Comput. Chem. 21 (8) (2000)
Laura Masgrau, Àngels González-Lafont, José M. Lluch
Effect of a complex formation on the calculated low-pressure rate constant of a bimolecular gas-phase reaction governed by tunneling. J. Comput. Chem. 20 (16) (1999)
Ricard Gelabert, Miquel Moreno, José M. Lluch
Applicability of the WKB Method in Asymmetric Double Wells with Degenerate and Nondegenerate Minima. J. Comput. Chem. 15 (2) (1994)