Man

Esteban Vohringer-Martinez

Profesor Asociado

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

Líneas de Investigación


Química Teórica y Computacional; Catálisis enzimática; Simulaciones computacionales de dinámica molecular; biofísica; Cálculos de energía libre de unión, Mecanismo de reacción

Educación

  •  Química, UNIVERSITAT GOTTINGEN. Alemania, 2008

Experiencia Académica

  •   Profesor asistente Full Time

    UNIVERSIDAD DE CONCEPCION

    Ciencias Químicas

    Concepcion, Chile

    2011 - 2016

  •   profesor asociado Full Time

    UNIVERSIDAD DE CONCEPCION

    Ciencias Químicas

    Concepcion, Chile

    2016 - A la fecha


 

Article (37)

Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide
DFT benchmark study of the O-O bond dissociation energy in peroxides validated with high-level ab initio calculations
SAMPL6 Octanol–water partition coefficients from alchemical free energy calculations with MBIS atomic charges
Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases
Conformational sampling and polarization of Asp26 in pK(a) calculations of thioredoxin
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions
Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases
A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical
Catalytic Reaction Mechanism in Native and Mutant Catechol-O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis
Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
Global and local reactivity descriptors based on quadratic and linear energy models for ?,?-unsaturated organic compounds
Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges
Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges
The local response of global descriptors
An explicit approach to conceptual density functional theory descriptors of arbitrary order
Conformational Substrate Selection Contributes to the Enzymatic Catalytic Reaction Mechanism of Pin1
Reaction electronic flux and its role in DNA intramolecular proton transfers
The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate
A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation
Charge separation and isolation in strong water droplet impacts
Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives
Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy
On the electron affinity of cytosine in bulk water and at hydrophobic aqueous interfaces
The Influence of Ser-154, Cys-113, and the Phosphorylated Threonine Residue on the Catalytic Reaction Mechanism of Pin1
How Does Pin1 Catalyze the Cis-Trans Prolyl Peptide Bond Isomerization? A QM/MM and Mean Reaction Force Study
Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective
Characterizing the Mechanism of the Double Proton Transfer in the Formamide Dimer
Computational Study of the Binding Modes of Caffeine to the Adenosine A(2A) Receptor
Insights on the mechanism of proton transfer reactions in amino acids
The mean reaction force: A method to study the influence of the environment on reaction mechanisms
Amino Acids at Water-Vapor Interfaces: Surface Activity and Orientational Ordering
Role of Water Complexes in the Reaction of Propionaldehyde with OH Radicals
The Role of Water in the Proton Transfer Reaction Mechanism in Tryptophan
Primary Steps of pH-Dependent Insulin Aggregation Kinetics are Governed by Conformational Flexibility
Ultrafast phase transitions in metastable water near liquid interfaces
Water Catalysis of a Radical-Molecule Gas-Phase Reaction

Proyecto (8)

Max-Planck Partner Group
IMPROVED BINDING FREE ENERGIES AND PKA CALCULATIONS FOR BIOCHEMICAL SYSTEMS THROUGH ATOMIC CHARGES DERIVED FROM THE LOCAL ELECTRON DENSITY
Procesos Químicos y Catálisis
Estudio sobre la captura de electrones solvatados en la interfaz agua-vacío por moléculas del ámbito biológico.
On the way of Enzymes' function=> A new Perspectives from the Mean Reaction Force
Mechanistic Aspects of Proton Transfer Reactions with Application to Biomolecules and Materials Science
Enzyme Catalysis of cis-trans Peptide Isomerization=> A Mechanistic Study via Ab-Initio Molecular Dynamics
Reactions and Dynamics at Interfaces
37
Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

9
Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

7
David Sáez

Investigador Postdoctoral

Universidad de Concepción

Concepción, Chile

2
Oscar Douglas

Post-doctorando

CONICET

Córdoba Capital, Argentina

2
Javier Oller

Investigador Postdoctoral

Universidad de Chile

Santiago de Chile, Chile

2
Pablo Jaque

Profesor Asociado

Química Orgánica y Fisicoquímica

Universidad de Chile

Santiago, Chile

1
Carlos Cardenas

Associate professor

Physics

UNIVERSIDAD DE CHILE

Santiago, Chile

1
Stefan Vogt

Profesor Asistente

Fisicoquímica

Universidad de Concepción

Concepcion, Chile

1
Rocío Durán

Investigadora Asistente

Universidad de Talca

Talca, Chile

1
David David

Full professor

Analitycal and Inorganic Chemistry

UNIVERSIDAD DE CONCEPCION

Concepción, Chile

1
Patricia Perez

Full Professor

Ciencias Químicas

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

1
Bárbara Herrera

Profesor Asociado

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

1
Claudio Jimenez

Associate Professor

Organic Chemistry

UNIVERSIDAD DE CONCEPCIÓN, FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

1
Paulina Hidalgo

Assistant Professor

Organic Chemistry

UNIVERSIDAD DE CONCEPION

Concepcion, Chile