Esteban Vöhringer-Martinez
Orcid: 0000-0003-1785-4558
According to our database1,
Esteban Vöhringer-Martinez
authored at least 11 papers
between 2010 and 2023.
Collaborative distances:
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Bibliography
2023
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO<sub>2</sub> Fixation.
J. Chem. Inf. Model., December, 2023
2022
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions.
J. Chem. Inf. Model., 2022
2021
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest Systems.
J. Chem. Inf. Model., 2021
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
J. Comput. Chem., 2021
2020
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach.
J. Comput. Chem., 2020
SAMPL6 Octanol-water partition coefficients from alchemical free energy calculations with MBIS atomic charges.
J. Comput. Aided Mol. Des., 2020
2019
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions.
J. Comput. Chem., 2019
2018
Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges.
J. Chem. Inf. Model., 2018
Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges.
J. Comput. Chem., 2018
2015
A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation.
J. Comput. Aided Mol. Des., 2015
2010
J. Comput. Chem., 2010