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Gonzalo Alfredo Jaña Villalobos

Profesor Asociado

Universidad Andres Bello

Concepción, Chile

Computational Chemistry and Molecular Design

Doctor en ciencias con mención en Quimica, UNIVERSIDAD DE CONCEPCION. Chile, 2010
Quimico, UNIVERSIDAD DE CONCEPCION. Chile, 2004

Profesor asistente Full Time

UNIVERSIDAD ANDRES BELLO

Ciencias Exactas

Concepcion, Chile

2012 - 2018
Colaborador Académico Other

UNIVERSIDAD DE CONCEPCION

Ciencias Químicas

Concepcion, Chile

2010 - 2012
Profesor Asociado Full Time

UNIVERSIDAD ANDRES BELLO

concepcion, Chile

2019 - At present

Colaborador académico Full Time

Universidad de concepcion

Concepcion, Chile

2010 - 2012
Profesor Asistente Full Time

Universidad Andrés Bello

Concepcion, Chile

2012 - At present

Director de tesis doctoral titulada " Estudio teórico computacional del mecanismo catalítico de la enzima glucansucrasa de Streptocciccus Mutans" conducente al grado académico de Doctor en Fisicoquímica Molecular, otorgado por la Universidad Andres Bello al Sr Manuel Osorio Soto.


Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study Medina F.E.; JimÃ©nez V.A. Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Mechanism-Based Rational Discovery and In Vitro Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity Article Journal of Chemical Information and Modeling (2020)
Unveiling the Dynamical and Structural Features That Determine the Orientation of the Acceptor Substrate in the Landomycin Glycosyltransferase LanGT2 and Its Variant with C-Glycosylation Activity JaÃ±a G.A. Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Modulation of glucan-enzyme interactions by domain V in GTF-SI from Streptococcus mutans Jana, GA; Jimenez, VA Article ISI SCOPUS PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2019)
Molecular modeling study on the differential microtubule‐stabilizing effect in singly‐ and doubly‐bonded complexes with peloruside A and paclitaxel Alderete, Joel B. Article SCOPUS Proteins: Structure, Function and Bioinformatics (2019)
The role of conserved arginine in the GH70 family: a computational study of the structural features and their implications on the catalytic mechanism of GTF-SI from Streptoccocus mutans Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans Jana, GA; Mendoza, F; Alderete, JB; Ramos, MJ; Jimenez, VA Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2018)
Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association: A molecular modeling approach on the mechanism of microtubule stabilizing agents Alderete, JB; Jana, GA; Jimenez, VA Article ISI SCOPUS CHEMICAL BIOLOGY & DRUG DESIGN (2018)
A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach Alvarado, Omar; Lizana, Ignacio; Jana, Gonzalo; Delgado, Eduardo Article CHEMICAL PHYSICS LETTERS (2017)
A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2017)
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with alpha beta-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis Article ISI SCOPUS JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2017)
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with Î±Î²-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis. Zúñiga, Matías A; Alderete, Joel B; Jaña, Gonzalo A; Jiménez, Verónica A Article Journal of computer-aided molecular design (2017)
INNOVATIVE USE OF A TABLET DEVICE TO DELIVER INSTRUCTION IN UNDERGRADUATE CHEMISTRY LECTURES Jana, GA; Cardona W.; Jimenez, VA Article ISI SCOPUS Quimica Nova (2015)
INNOVATIVE USE OF A TABLET DEVICE TO DELIVER INSTRUCTION IN UNDERGRADUATE CHEMISTRY LECTURES Jana, GA; Cardona, W; Jimenez, VA Article Quimica Nova (2015)
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach Lizana I.; Jana, GA Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
New Insights on the Reaction Pathway Leading to Lactyl-ThDP=> A Theoretical Approach Lizana, I; Jana, GA; Delgado, EJ Article Journal of Chemical Information and Modeling (2015)
A QM/MM Study on the Reaction Pathway Leading to 2-Aceto-2-Hydroxybutyrate in the Catalytic Cycle of AHAS Sánchez L., Jana; GA, Delgado Article Journal of Computational Chemistry (2014)
A QM/MM Study on the Reaction Pathway Leading to 2-Aceto-2-Hydroxybutyrate in the Catalytic Cycle of AHAS Sánchez L.; Jana, GA Article ISI JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study Jana, Gonzalo A.; Deljado, Eduardo J; Medina, Fabiola E. Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate Jana, GA Article ISI SCOPUS Journal of Molecular Modeling (2013)
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP Alvarado O.; Jana, G; Delgado E.J. Article ISI SCOPUS Journal of Computer-Aided Molecular Design (2012)
A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase Jana, G; Jimenez, V; Villa-Freixa, J; Prat-Resina, X; Delgado, E.; Alderete, JB Article ISI SCOPUS Computational and Theoretical Chemistry (2011)
Density-functional study on the equilibria in the ThDP activation Alderete, JB; Jana, GA Article ISI SCOPUS Journal of Molecular Modeling (2011)
On the inhibition of AHAS by chlorimuron ethyl: A theoretical study Jana, GA; Alderete, JB Article ISI SCOPUS Chemical Physics Letters (2011)
Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP- intermediate Jana, G; Jimenez, V; Villa-Freixa, J; Prat-Resina, X; Delgado, E.; Alderete J. Article ISI SCOPUS Proteins: Structure, Function and Bioinformatics (2010)
Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds Jana, GA Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2009)
DFT derived solvation models for organic compounds in alkane solvents Alderete, JB; Jana, GA Article ISI SCOPUS CHEMICAL PHYSICS (2006)
On the aggregation state and QSPR models. The solubility of herbicides as a case study Alderete, JB; Jana, GA Article ISI SCOPUS JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds Estrada E.; Alderete, JB; Jana, GA Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
A simple QSPR model for predicting soil sorption coefficients of polar and nonpolar organic compounds from molecular formula Alderete, JB; Jana, GA Article ISI JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)


Unveiling the factors that determine the enzymatic C-glycosidic bond formation => A QM/MM Approach. FONDECYT (3180146) Proyecto 2018-2021 Inv. Patrocinante
STRUCTURE-BASED DRUG DESIGN OF NEW TUBULIN BINDING AGENTS WITH POTENTIAL ANTICANCER PROPERTIES FONDECYT (1160060) Proyecto 2016-2020 Coinvestigador(a)
QM/MM STUDY ON THE CATALYTIC MECHANISM OF GLUCANSUCRASE FROM STREPTOCOCCUS MUTANS=> A TARGET ENZYME FOR THE MOLECULAR DESIGN OF ANTI-CARIES AGENTS. FONDECYT (1150704) Proyecto 2015-2019 Inv. Responsable