Publications by authors named "Rodrigo Recabarren"

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Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes.
José Luís Velázquez-Libera, Rodrigo Recabarren, David Adrian Saez, Carlos Castillo, J Javier Ruiz-Pernía

J Comput Chem· July 2025

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Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory.
José Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez, Yamisleydi Salgueiro, J Javier Ruiz-Pernía

J Chem Theory Comput· May 2025

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Computational methods for the study of carboxylases: The case of crotonyl-CoA carboxylase/reductase.
Rodrigo Recabarren, Aharon Gómez Llanos, Esteban Vöhringer-Martinez

Methods Enzymol· November 2024

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Characterization of hydroxymethylpyrimidine phosphate kinase from mesophilic and thermophilic bacteria and structural insights into their differential thermal stability.
Pablo A Cea, Gissela Araya, Gabriel Vallejos, Rodrigo Recabarren, Jans Alzate-Morales

Arch Biochem Biophys· July 2020

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Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM study.
Rodrigo Recabarren, Edison H Osorio, Julio Caballero, Iñaki Tuñón, Jans H Alzate-Morales

PLoS One· March 2020

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Molecular Insights into the Trapping Effect of Ca in Protein Kinase A: A Molecular Dynamics Study.
Jocelyn Solorza, Rodrigo Recabarren, Jans Alzate-Morales

J Chem Inf Model· February 2020

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Binding and Catalytic Mechanisms of Veratryl Alcohol Oxidation by Lignin Peroxidase: A Theoretical and Experimental Study.
Jefferson O Romero, Elena Fernández-Fueyo, Fabián Avila-Salas, Rodrigo Recabarren, Jans Alzate-Morales

Comput Struct Biotechnol J· July 2019

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Studying the phosphoryl transfer mechanism of the phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations.
Juliana Murillo-López, Kirill Zinovjev, Humberto Pereira, Andres Caniuguir, Richard Garratt, Rodrigo Recabarren

Chem Sci· March 2019

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Effect of nanosilver surfaces on peptide reactivity towards reactive oxygen species.
Erik Jacques, Manuel Ahumada, Brianna Rector, Goonay Yousefalizadeh, Constanza Galaz-Araya, Rodrigo Recabarren

Nanoscale· August 2018

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