Esteban Vohringer-Martinez
Esteban Vohringer-Martinez
Departamento de Físico-Química, Facultad de Ciencias Químicas, Universidad de Concepción
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Cited by
Cited by
Water catalysis of a radical-molecule gas-phase reaction
E Vöhringer-Martinez, B Hansmann, H Hernandez, JS Francisco, J Troe, ...
Science 315 (5811), 497-501, 2007
Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
F Heidar-Zadeh, PW Ayers, T Verstraelen, I Vinogradov, ...
The Journal of Physical Chemistry A 122 (17), 4219-4245, 2017
Primary Steps of pH‐Dependent Insulin Aggregation Kinetics are Governed by Conformational Flexibility
J Haas, E Vöhringer‐Martinez, A Bögehold, D Matthes, U Hensen, ...
ChemBioChem 10 (11), 1816-1822, 2009
Characterizing the mechanism of the double proton transfer in the formamide dimer
JC Hargis, E Vöhringer-Martinez, HL Woodcock, A Toro-Labbé, ...
The Journal of Physical Chemistry A 115 (12), 2650-2657, 2011
Role of water complexes in the reaction of propionaldehyde with OH radicals
E Vohringer-Martinez, E Tellbach, M Liessmann, B Abel
The Journal of Physical Chemistry A 114 (36), 9720-9724, 2010
Ultrafast phase transitions in metastable water near liquid interfaces
O Link, E Vöhringer-Martinez, E Lugovoj, Y Liu, K Siefermann, M Faubel, ...
Faraday discussions 141, 67-79, 2009
An explicit approach to conceptual density functional theory descriptors of arbitrary order
F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ...
Chemical Physics Letters 660, 307-312, 2016
Insights on the mechanism of proton transfer reactions in amino acids
F Duarte, E Vöhringer-Martinez, A Toro-Labbé
Physical Chemistry Chemical Physics 13 (17), 7773-7782, 2011
How does Pin1 catalyze the cis–trans prolyl peptide bond isomerization? A QM/MM and mean reaction force study
E Vöhringer-Martinez, F Duarte, A Toro-Labbé
The Journal of Physical Chemistry B 116 (43), 12972-12979, 2012
The role of water in the proton transfer reaction mechanism in tryptophan
E Vöhringer‐Martinez, A Toro‐Labbé
Journal of computational chemistry 31 (14), 2642-2649, 2010
Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges
M Riquelme, A Lara, DL Mobley, T Verstraelen, AR Matamala, ...
Journal of chemical information and modeling 58 (9), 1779-1797, 2018
Hydration Free Energies of Organic Molecules in the FreeSolv Database Calculated with Polarized Atom In Molecules Atomic Charges and the GAFF Force Field.
M Riquelme, A Lara, DL Mobley, T Verstraelen, AR Matamala, ...
ChemRxiv, 2018
Computational Study of the Binding Modes of Caffeine to the Adenosine A2A Receptor
Y Liu, SK Burger, PW Ayers, E Vöhringer-Martinez
The Journal of Physical Chemistry B 115 (47), 13880-13890, 2011
The influence of Ser-154, Cys-113, and the phosphorylated threonine residue on the catalytic reaction mechanism of Pin1
E Vöhringer-Martinez, T Verstraelen, PW Ayers
The Journal of Physical Chemistry B 118 (33), 9871-9880, 2014
Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective
E Vöhringer-Martinez, A Toro-Labbé
The Journal of Physical Chemistry A 116 (27), 7419-7423, 2012
A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation
DA Saez, E Vöhringer-Martinez
Journal of computer-aided molecular design 29 (10), 951-961, 2015
Charge separation and isolation in strong water droplet impacts
F Wiederschein, E Vöhringer-Martinez, A Beinsen, F Postberg, J Schmidt, ...
Physical Chemistry Chemical Physics 17 (10), 6858-6864, 2015
Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases
GMM Stoffel, DA Saez, H DeMirci, B Vögeli, Y Rao, J Zarzycki, ...
Proceedings of the National Academy of Sciences, 201901471, 2019
Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy
E Vöhringer-Martinez, O Link, E Lugovoy, KR Siefermann, ...
Physical Chemistry Chemical Physics 16 (36), 19365-19375, 2014
The mean reaction force: a method to study the influence of the environment on reaction mechanisms
E Vöhringer-Martinez, A Toro-Labbé
The Journal of chemical physics 135 (6), 064505, 2011
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