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David Adrián Sáez San Martín

Investigador Postdoctoral

Universidad de Concepción

Concepción, Chile

Molecular Dynamics, Enzymatic Catalysis, Enzymatic Design

Química, UNIVERSIDAD DE CONCEPCION. Chile, 2017
Química y Farmacia, UNIVERSIDAD DE CONCEPCION. Chile, 2012

Colaborador Docente Part Time

UNIVERSIDAD DE CONCEPCION

Farmacia

Concepcion, Chile

2018 - At present


Covalent Adduct Formation as a Strategy for Efficient CO2 Fixation in Crotonyl-CoA Carboxylases/Reductases Recabarren, Rodrigo; Tinzl, Matthias; Saez, David Adrian; Gomez, Aharon; Erb, Tobias J.; Vohringer-Martinez, Esteban Article ISI ACS CATALYSIS (2023)
Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide Oller J.; Saez D.A.; VÃ¶hringer-Martinez E. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases BernhardsgrÃ¼tter I.; Schell K.; Peter D.M.; Borjian F.; Saez D.A.; VÃ¶hringer-Martinez E.; Erb T.J. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions Douglas-Gallardo, OA; Saez, DA; Vogt-Geisse, S; Vohringer-Martinez, E Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases Stoffel G.M.M.; Saez D.A.; DeMirci H.; VÃ¶geli B.; Rao Y.; Zarzycki J.; Yoshikuni Y.; Wakatsuki S.; VÃ¶hringer-Martinez E.; Erb T.J. Article ISI SCOPUS PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2019)
Catalytic Reaction Mechanism in Native and Mutant Catechol-O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis Saez, DA; Zinovjev, K; Tunon, I; Voringer-Martinez, E Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2018)
The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate Saez, David Adrian; Vogt-Geisse, Stefan; Inostroza-Rivera, Ricardo; Kuba?, Tomáš; Elstner, Marcus; Toro-Labbé, Alejandro; Vöhringer-Martinez, Esteban Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation Saez, DA; Vohringer-Martinez, E Article ISI SCOPUS Journal of Computer-Aided Molecular Design (2015)


Mechanisms Governing CO2/ O2 Specificity in RuBisCO from Multiscale Computer Simulations Esteban Vöhringer-Martinez Proyecto (2024)
NADPH, 1,4-Dihydropyridines and Unsaturated Compounds: Exploring the Main Reducing Strategy of Nature. David Adrian Saez; Stefan Vogt-Geisse Proyecto (2019)
REDCO2:Rational Enzyme Design for CO2 fixation Esteban Vöhringer-Martinez; Stefan Vogt-Geisse; David Adrian Saez; Rodrigo Recabarren Proyecto (2019)
Max Planck Partner Group=> A mechanistic model for CO2 fixation of Ccr enzymes from QM/MM simulations and mutational studies. Max Planck Society (0) Proyecto 2017-2019 Postdoctorado
Núcleo Milenio Procesos Químicos y Catálisis Iniciativa Científica Milenio (110082) Proyecto 2015-2016 Personal técnico y/o de apoyo
ON THE TRACK OF ENZYMES' FUNCTION=> NEW INSIGHTS FROM THE MEAN REACTION FORCE FONDECYT (11121179) Proyecto 2012-2015 Personal técnico y/o de apoyo
ON THE TRACK OF ENZYMES' FUNCTION=> NEW INSIGHTS FROM THE MEAN REACTION FORCE FONDECYT (11121179) Proyecto 2012-2015 Tesista

David Sáez

Investigador Postdoctoral

Universidad de Concepción

Concepción, Chile

Esteban Vohringer-Martinez

Profesor Asociado

Físico-Química

FACULTAD DE CIENCIAS QUÍMICAS

Concepción, Chile

Javier Oller

Investigador Postdoctoral

Universidad de Chile

Santiago de Chile, Chile

Aharon Gomez

Docente

Departamento de Ciencias Biológicas y Químicas

Universidad San Sebastián

Concepción, Chile

Alejandro Toro

PROFESOR TITULAR

Química Física

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

Santiago, Chile

David Adrián Sáez San Martín

Líneas de Investigación

Educación

Química, UNIVERSIDAD DE CONCEPCION. Chile, 2017

Química y Farmacia, UNIVERSIDAD DE CONCEPCION. Chile, 2012

Experiencia Académica

Colaborador Docente Part Time

Article (8)

Covalent Adduct Formation as a Strategy for Efficient CO2 Fixation in Crotonyl-CoA Carboxylases/Reductases

Atom-Condensed Fukui Function in Condensed Phases and Biological Systems and Its Application to Enzymatic Fixation of Carbon Dioxide

Awakening the Sleeping Carboxylase Function of Enzymes: Engineering the Natural CO2-Binding Potential of Reductases

Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions

Four amino acids define the CO2 binding pocket of enoyl-CoA carboxylases/reductases

Catalytic Reaction Mechanism in Native and Mutant Catechol-O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis

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

Proyecto (7)

Mechanisms Governing CO2/ O2 Specificity in RuBisCO from Multiscale Computer Simulations

NADPH, 1,4-Dihydropyridines and Unsaturated Compounds: Exploring the Main Reducing Strategy of Nature.

REDCO2:Rational Enzyme Design for CO2 fixation

Max Planck Partner Group=> A mechanistic model for CO2 fixation of Ccr enzymes from QM/MM simulations and mutational studies.

Núcleo Milenio Procesos Químicos y Catálisis

ON THE TRACK OF ENZYMES' FUNCTION=> NEW INSIGHTS FROM THE MEAN REACTION FORCE

ON THE TRACK OF ENZYMES' FUNCTION=> NEW INSIGHTS FROM THE MEAN REACTION FORCE

David Sáez

Esteban Vohringer-Martinez

Javier Oller

Aharon Gomez

Alejandro Toro