Àngels González-Lafont - researchr alias

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Viewing Publication 1 - 7 from 7

2014

A QM/MM study of the associative mechanism for the phosphorylation reaction catalyzed by protein kinase A and its D166A mutantAyax Pérez-Gallegos, Mireia Garcia-Viloca, Àngels González-Lafont, José M. Lluch. jcamd, 28(11):1077-1091, 2014. [doi]

2011

Variational transition-state theory study of the rate constant of the DMS·OH scavenging reaction by O::2::Juan M. Ramírez-Anguita, Àngels González-Lafont, José M. Lluch. jcc, 32(10):2104-2118, 2011. [doi]

Substrate binding to mammalian 15-lipoxygenaseLea Toledo, Laura Masgrau, José M. Lluch, Àngels González-Lafont. jcamd, 25(9):825-835, 2011. [doi]

2007

Comparative study of the prereactive protein kinase A Michaelis complex with Kemptide substrateManuel Montenegro, Mireia Garcia-Viloca, Àngels González-Lafont, José M. Lluch. jcamd, 21(10-11):603-615, 2007. [doi]

2005

Electronic structure study of the initiation routes of the dimethyl sulfide oxidation by OHNúria González-García, Àngels González-Lafont, José M. Lluch. jcc, 26(6):569-583, 2005. [doi]

2004

Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistryRicard Casadesús, Miquel Moreno, Àngels González-Lafont, José M. Lluch, Matthew P. Repasky. jcc, 25(1):99-105, 2004. [doi]

2000

Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactionsJordi Villá, Jörg Bentzien, Àngels González-Lafont, José M. Lluch, Juan Bertran, Arieh Warshel. jcc, 21(8):607-625, 2000. [doi]

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