Esteban Vöhringer-Martinez
Universidad de Concepción
H-index: 20
Latin America-Chile
Top articles of Esteban Vöhringer-Martinez
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Infrared Spectroscopy Reveals Metal-independent Carbonic Anhydrase Activity in Crotonyl-CoA Carboxylase/Reductase | Chemical Science | Aharon Gomez Matthias Tinzl Gabriele Stoffel Hendrik Westedt Helmut Grubmüller | 2024 |
The tale of HORTON: Lessons learned in a decade of scientific software development | The Journal of Chemical Physics | Matthew Chan Toon Verstraelen Alireza Tehrani Michelle Richer Xiaotian Derrick Yang | 2024/4/28 |
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO2 Fixation | Journal of Chemical Information and Modeling | Aharon Gomez Tobias J Erb Helmut Grubmüller Esteban Vöhringer-Martinez | 2023/12/4 |
Covalent Adduct Formation as a Strategy for Efficient CO2 Fixation in Crotonyl-CoA Carboxylases/Reductases | ACS Catalysis | Rodrigo Recabarren Matthias Tinzl David Adrian Saez Aharon Gomez Tobias J Erb | 2023/4/21 |
Non-bonded force field parameters from MBIS partitioning of the molecular electron density improve CB7 host-guest affinity predictions | Duvan Gonzalez Luis Macaya Carlos Castillo-Orellana Toon Verstraelen Stefan Vogt-Geisse | 2022/5/27 | |
Constrained iterative Hirshfeld charges: A variational approach | The Journal of Chemical Physics | Leila Pujal Maximilian Van Zyl Esteban Vöhringer-Martinez Toon Verstraelen Patrick Bultinck | 2022/5/21 |
Intersubunit Coupling Enables Fast CO2-Fixation by Reductive Carboxylases | ACS central science | Hasan DeMirci Yashas Rao Gabriele M Stoffel Bastian Vogeli Kristina Schell | 2022/4/25 |
Ene-adducts from 1, 4-dihydropyridines and α, β-unsaturated nitriles: asynchronous transition states displaying aromatic features | Organic & Biomolecular Chemistry | David Adrian Saez Stefan Vogt-Geisse Esteban Vöhringer-Martinez | 2022 |
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host–Guest Affinity Predictions | Journal of Chemical Information and Modeling | Duván González Luis Macaya Carlos Castillo-Orellana Toon Verstraelen Stefan Vogt-Geisse | 2022/8/12 |
Carbon dioxide fixation in ruBisCO is protonation-state-dependent and irreversible | ACS Catalysis | Oscar A Douglas-Gallardo Juliana A Murillo-López Javier Oller Adrian J Mulholland Esteban Vohringer-Martinez | 2022/7/19 |
Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency | Proceedings of the National Academy of Sciences | Naoki Horikoshi Sunhee Hwang Cornelius Gati Tsutomu Matsui Carlos Castillo-Orellana | 2021/1/26 |
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host–Guest Systems | Journal of Chemical Information and Modeling | Duván González Luis Macaya Esteban Vohringer-Martinez | 2021/8/31 |
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files | Journal of Computational Chemistry | Toon Verstraelen William Adams Leila Pujal Alireza Tehrani Braden D Kelly | 2021/3/5 |
Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide | The Journal of Physical Chemistry A | Javier Oller David Adrian Saez Esteban Vöhringer-Martinez | 2020/1/17 |
High level ab initio binding energy distribution of molecules on interstellar ices: Hydrogen fluoride | Molecular Astrophysics | Giulia Bovolenta Stefano Bovino Esteban Vöhringer-Martinez David A Saez Tommaso Grassi | 2020/12/1 |
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector‐based embedding approach | Journal of Computational Chemistry | Oscar A Douglas‐Gallardo Ian Shepherd Simon J Bennie Kara E Ranaghan Adrian J Mulholland | 2020/9/15 |
DFT benchmark study of the O–O bond dissociation energy in peroxides validated with high-level ab initio calculations | Theoretical Chemistry Accounts | Danilo J Carmona Pablo Jaque Esteban Vöhringer-Martinez | 2020/7 |
SAMPL6 Octanol–water partition coefficients from alchemical free energy calculations with MBIS atomic charges | Journal of computer-aided molecular design | Maximiliano Riquelme Esteban Vöhringer-Martinez | 2020/1/20 |
