Esteban Vöhringer-Martinez

31PUBLICATIONS
36CO-AUTHORS
Biomolecular modelling and designChemical and thermal processes in energy and combustionComputational chemistryStatistical mechanics in chemistryTheoretical quantum chemistry
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Publications (31)

|Mar 18, 2026
D-MBIS Nonbonded Force Field Parameters Improve Specificity and Selectivity Prediction in Bromodomains.

Luis Macaya, Esteban Vöhringer-Martinez

|Jan 06, 2026
Electric fields enhance Diels-Alderase catalysis in abyssomicin C biosynthesis.

Rodrigo Recabarren, Sam T Johns, H Adrian Bunzel

|Sep 17, 2025
Fast rational enzyme design by computational non-equilibrium alchemical transformations.

Carlos Castillo-Orellana, Esteban Vöhringer-Martinez

|Jul 14, 2025
Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes.

José Luís Velázquez-Libera, Rodrigo Recabarren, David Adrian Saez

|May 07, 2025
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

|Feb 14, 2025
Nonbonded Force Field Parameters Derived from Atoms-in-Molecules Methods Reproduce Interactions in Proteins from First-Principles.

Carlos Castillo-Orellana, Farnaz Heidar-Zadeh, Esteban Vöhringer-Martinez

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Frequent Collaborators

9 joint publications

Toon Verstraelen

7 joint publications

Paul W Ayers

7 joint publications

Farnaz Heidar-Zadeh

5 joint publications

David Adrian Saez