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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
692013
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
642013
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
272019
Re‐Evaluating the Transition State for Reactions in Solution
R Garcia-Meseguer, B Carpenter
European Journal of Organic Chemistry, 2018
222018
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
182015
Insights into the Enhancement of the Poly (ethylene terephthalate) Degradation by FAST-PETase from Computational Modeling
R García-Meseguer, E Ortí, I Tuñón, JJ Ruiz-Pernía, J Aragó
Journal of the American Chemical Society 145 (35), 19243-19255, 2023
82023
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
72019
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
1*2021
Desarrollo de coordenadas del entorno para el estudio de la catálisis enzimática
RG Meseguer
Universitat de València, 2017
2017
Solvent Coordinates and Free Energy Surfaces in an Enzymatic SN2 Reaction. Elucidating the Role of Protein Structure, Flexibility and Dynamics
R García-Meseguer, S Martí, JJ Ruiz-Pernía, V Moliner, I Tuñón
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Articles 1–11