Esteban Vohringer-Martinez
Esteban Vohringer-Martinez
Departamento de Físico-Química, Facultad de Ciencias Químicas, Universidad de Concepción
Adresse e-mail validée de udec.cl - Page d'accueil
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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
2982007
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
562017
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
402009
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
342011
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
332010
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
312009
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
302016
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
302011
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
282012
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
212011
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
212010
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
202018
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
202018
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
182014
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
182012
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 116 (28), 13964-13969, 2019
172019
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
172015
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
162015
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
142011
Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases
I Bernhardsgrütter, K Schell, DM Peter, F Borjian, DA Saez, ...
Journal of the American Chemical Society 141 (25), 9778-9782, 2019
132019
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