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Rafael Garcia-Meseguer
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Increased Dynamic Effects in a Catalytically Compromised Variant of Escherichia coli Dihydrofolate Reductase
JJ Ruiz-Pernia, LYP Luk, R García-Meseguer, S Martí, EJ Loveridge, ...
Journal of the American Chemical Society 135 (49), 18689-18696, 2013
632013
Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates
R García-Meseguer, S Martí, JJ Ruiz-Pernía, V Moliner, I Tuñón
Nature Chemistry 5 (7), 566-571, 2013
622013
Chemical reactions: A journey into phase space
M Agaoglou, B Aguilar-Sanjuan, VJ García-Garrido, R García-Meseguer, ...
Zenodo. https://doi. org/10.5281/zenodo 3568210, 2019
232019
Re‐Evaluating the Transition State for Reactions in Solution
R Garcia-Meseguer, B Carpenter
European Journal of Organic Chemistry, 2018
182018
Linking electrostatic effects and protein motions in enzymatic catalysis. A theoretical analysis of catechol o-methyltransferase
R García-Meseguer, K Zinovjev, M Roca, JJ Ruiz-Pernía, I Tuñón
The Journal of Physical Chemistry B 119 (3), 873-882, 2015
172015
The influence of the solvent’s mass on the location of the dividing surface for a model Hamiltonian
R Garcia-Meseguer, BK Carpenter, S Wiggins
Chemical Physics Letters 737, 100030, 2019
62019
A Molecular Dynamics Study on the Role of the Protonation State in the Biosynthesis of R-PAC by AHAS
O Alvarado, R Garcia-Meseguer, JJ Ruiz-Pernía, I Tunon, EJ Delgado
Chemical Physics Letters 716, 247-251, 2019
42019
Mechanistic study of the biosynthesis of R-phenylacetylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations
O Alvarado, R García-Meseguer, JJ Ruiz-Pernía, I Tuñon, EJ Delgado
Archives of Biochemistry and Biophysics 707, 108849, 2021
2021
Desarrollo de coordenadas del entorno para el estudio de la catálisis enzimática
RG Meseguer
Universitat de València, 2017
2017
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Articles 1–9