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Journal of Chemical Information and Modeling|December 6, 2019
Molecular Insights into the Trapping Effect of Ca<sup>2+</sup> in Protein Kinase A: A Molecular Dynamics StudyJocelyn Solorza, Rodrigo Recabarren, Jans Alzate-Morales
Methods in Enzymology|November 21, 2024
Computational methods for the study of carboxylases: The case of crotonyl-CoA carboxylase/reductaseRodrigo Recabarren, Aharon Gómez Llanos, Esteban Vöhringer-Martinez
Plos One|September 5, 2019
Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: A QM/MM studyRodrigo Recabarren, Edison H Osorio, Julio Caballero, et al.
Chemical Communications (Cambridge, England)|January 6, 2026
Electric fields enhance Diels-Alderase catalysis in abyssomicin C biosynthesisRodrigo Recabarren, Sam T Johns, H Adrian Bunzel, et al.
Computational and Structural Biotechnology Journal|August 28, 2019
Binding and Catalytic Mechanisms of Veratryl Alcohol Oxidation by Lignin Peroxidase: A Theoretical and Experimental StudyJefferson O Romero, Elena Fernández-Fueyo, Fabián Avila-Salas, et al.
Journal of Chemical Theory and Computation|May 7, 2025
Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of TheoryJosé Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez, et al.
Archives of Biochemistry and Biophysics|May 11, 2020
Characterization of hydroxymethylpyrimidine phosphate kinase from mesophilic and thermophilic bacteria and structural insights into their differential thermal stabilityPablo A Cea, Gissela Araya, Gabriel Vallejos, et al.
Journal of Computational Chemistry|July 14, 2025
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in EnzymesJosé Luís Velázquez-Libera, Rodrigo Recabarren, David Adrian Saez, et al.
Nanoscale|August 15, 2018
Effect of nanosilver surfaces on peptide reactivity towards reactive oxygen speciesErik Jacques, Manuel Ahumada, Brianna Rector, et al.
Chemical Science|April 19, 2019
Studying the phosphoryl transfer mechanism of the <i>E. coli</i> phosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulationsJuliana Murillo-López, Kirill Zinovjev, Humberto Pereira, et al.
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