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Journal of the American Chemical Society|March 17, 2023
Molecular Basis of RNA-Driven ATP Hydrolysis in DExH-Box HelicasesSantiago Movilla, Maite Roca, Vicent Moliner, et al.
Physical Chemistry Chemical Physics : PCCP|July 10, 2020
Critical evaluation of anharmonicity and configurational averaging in QM/MM modelling of equilibrium isotope effectsMaite Roca, Catherine M Upfold, Ian H Williams
Journal of Chemical Information and Modeling|January 17, 2023
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's DiseaseSantiago Movilla, Sergio Martí, Maite Roca, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 10, 2008
On the relationship between folding and chemical landscapes in enzyme catalysisMaite Roca, Benjamin Messer, Donald Hilvert, et al.
Current Opinion in Chemical Biology|November 7, 2012
Modeling methods for studying post-translational and transcriptional modifying enzymesMaite Roca, Juan Aranda, Vicent Moliner, et al.
The Journal of Physical Chemistry. B|January 6, 2015
Enzyme promiscuity in enolase superfamily. Theoretical study of o-succinylbenzoate synthase using QM/MM methodsMaría Sánchez-Tarín, Katarzyna Swiderek, Maite Roca, et al.
The Journal of Physical Chemistry. B|June 8, 2010
Theoretical study of the catalytic mechanism of DNA-(N4-cytosine)-methyltransferase from the bacterium Proteus vulgarisJuan Aranda, Maite Roca, Violeta López-Canut, et al.
Journal of the American Chemical Society|May 4, 2006
Coupling between protein and reaction dynamics in enzymatic processes: application of Grote-Hynes Theory to catechol O-methyltransferaseMaite Roca, Vicente Moliner, Iñaki Tuñón, et al.
The Journal of Physical Chemistry. B|October 8, 2010
Application of Grote-Hynes theory to the reaction catalyzed by thymidylate synthaseNatalia Kanaan, Maite Roca, Iñaki Tuñón, et al.
The Journal of Physical Chemistry. B|December 19, 2007
Using Grote-Hynes theory to quantify dynamical effects on the reaction rate of enzymatic processes. The case of methyltransferasesRaquel Castillo, Maite Roca, Alejandro Soriano, et al.
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