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Current Opinion in Chemical Biology|April 3, 2021
Computational modeling of carbohydrate processing enzymes reactionsFernanda Mendoza, Laura Masgrau
Accounts of Chemical Research|December 25, 2014
The importance of ensemble averaging in enzyme kineticsLaura Masgrau, Donald G Truhlar
Carbohydrate Research|April 24, 2012
Essential role of glutamate 317 in galactosyl transfer by α3GalT: a computational studyHansel Gómez, José M Lluch, Laura Masgrau
Journal of Computational Chemistry|April 1, 2003
Dependence of the rate constants on the treatment of internal rotation modes: the reaction OH + CH3SH --> CH3S + H2O as an exampleLaura Masgrau, Angels González-Lafont, José M Lluch
Advances in Protein Chemistry and Structural Biology|September 30, 2015
QM/MM Studies Reveal How Substrate-Substrate and Enzyme-Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and MechanismHansel Gómez, Fernanda Mendoza, José M Lluch, et al.
The Journal of Physical Chemistry. B|March 19, 2013
An insight into the regiospecificity of linoleic acid peroxidation catalyzed by mammalian 15-lipoxygenasesReynier Suardíaz, Laura Masgrau, José M Lluch, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 23, 2014
Regio- and stereospecificity in the oxygenation of arachidonic acid catalyzed by Leu597 mutants of rabbit 15-lipoxygenase: a QM/MM studyReynier Suardíaz, Laura Masgrau, José M Lluch, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 5, 2014
Introducing mutations to modify the C13/C9 ratio in linoleic acid oxygenations catalyzed by rabbit 15-lipoxygenase: a QM/MM and MD studyReynier Suardíaz, Laura Masgrau, José M Lluch, et al.
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