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Articles by Rodrigo Recabarren | Synthical

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Articles by Rodrigo Recabarren

Electric fields enhance Diels–Alderase catalysis in Abyssomicin C biosynthesis

4 days ago by Rodrigo Recabarren and others

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Multi-objective evolutionary strategy for improving semiempirical Hamiltonians in the study of enzymatic reactions at the QM/MM level of theory

23 April 2025 by José Luís Velázquez-Libera and others at

Universidad de Talca

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes

18 March 2025 by José Luís Velázquez-Libera and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Multi-objective evolutionary strategy for improving semiempirical Hamiltonians in the study of enzymatic reactions at the QM/MM level of theory

13 February 2025 by José Luís Velázquez-Libera and others at

Universidad de Talca

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes

17 December 2024 by José Luís Velázquez-Libera and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes

13 December 2024 by José Luís Velázquez-Libera and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Adapted DFTB3 repulsive potentials reach DFT accuracy for hydride transfer reactions in enzymes

12 December 2024 by José Luís Velázquez-Libera and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Covalent adduct formation as strategy for efficient CO2 fixation in crotonyl-CoA carboxylases/reductases

21 April 2023 by Rodrigo Recabarren and others

Catalysis, Computational Chemistry and Modeling

How a Second Mg2+ Ion Affects the Phosphoryl Transfer Mechanism in a Protein Kinase: A Computational Study

1 July 2020 by Rodrigo Recabarren and others

Computational Chemistry and Modeling

Mechanistic insights into the phosphoryl transfer reaction in cyclin-dependent kinase 2: a QM/MM study

4 September 2019 by R. Recabarren and others at

Universidad de Talca