Man

Gonzalo Alfredo Jaña Villalobos

Profesor Asociado

Universidad Andres Bello

Concepción, Chile

Líneas de Investigación


Computational Chemistry and Molecular Design

Educación

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

Experiencia Académica

  •   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 - A la fecha

Experiencia Profesional

  •   Colaborador académico Full Time

    Universidad de concepcion

    Concepcion, Chile

    2010 - 2012

  •   Profesor Asistente Full Time

    Universidad Andrés Bello

    Concepcion, Chile

    2012 - A la fecha

Formación de Capital Humano


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.



 

Article (30)

Catalytic Role of Gln202 in the Carboligation Reaction Mechanism of Yeast AHAS: A QM/MM Study
Mechanism-Based Rational Discovery and In Vitro Evaluation of Novel Microtubule Stabilizing Agents with Non-Taxol-Competitive Activity
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
Modulation of glucan-enzyme interactions by domain V in GTF-SI from Streptococcus mutans
Molecular modeling study on the differential microtubule‐stabilizing effect in singly‐ and doubly‐bonded complexes with peloruside A and paclitaxel
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
A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans
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
A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach
A DFT study on the chiral synthesis of R-phenylacetyl carbinol within the quantum chemical cluster approach
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
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis.
INNOVATIVE USE OF A TABLET DEVICE TO DELIVER INSTRUCTION IN UNDERGRADUATE CHEMISTRY LECTURES
INNOVATIVE USE OF A TABLET DEVICE TO DELIVER INSTRUCTION IN UNDERGRADUATE CHEMISTRY LECTURES
New Insights on the Reaction Pathway Leading to Lactyl-ThDP: A Theoretical Approach
New Insights on the Reaction Pathway Leading to Lactyl-ThDP=> A Theoretical Approach
A QM/MM Study on the Reaction Pathway Leading to 2-Aceto-2-Hydroxybutyrate in the Catalytic Cycle of AHAS
A QM/MM Study on the Reaction Pathway Leading to 2-Aceto-2-Hydroxybutyrate in the Catalytic Cycle of AHAS
How Important Is the Synclinal Conformation of Sulfonylureas To Explain the Inhibition of AHAS: A Theoretical Study
Electron density reactivity indexes of the tautomeric/ionization forms of thiamin diphosphate
Computer-assisted study on the reaction between pyruvate and ylide in the pathway leading to lactyl-ThDP
A QM/MM study on the last two steps of the catalytic cycle of acetohydroxyacid synthase
Density-functional study on the equilibria in the ThDP activation
On the inhibition of AHAS by chlorimuron ethyl: A theoretical study
Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP- intermediate
Quantitative Prediction of Solvation Free Energy in Octanol of Organic Compounds
DFT derived solvation models for organic compounds in alkane solvents
On the aggregation state and QSPR models. The solubility of herbicides as a case study
Quantum-connectivity descriptors in modeling solubility of environmentally important organic compounds
A simple QSPR model for predicting soil sorption coefficients of polar and nonpolar organic compounds from molecular formula

Proyecto (3)

Unveiling the factors that determine the enzymatic C-glycosidic bond formation => A QM/MM Approach.
STRUCTURE-BASED DRUG DESIGN OF NEW TUBULIN BINDING AGENTS WITH POTENTIAL ANTICANCER PROPERTIES
QM/MM STUDY ON THE CATALYTIC MECHANISM OF GLUCANSUCRASE FROM STREPTOCOCCUS MUTANS=> A TARGET ENZYME FOR THE MOLECULAR DESIGN OF ANTI-CARIES AGENTS.
27
Gonzalo Jaña

Profesor Asociado

Ciencias Químicas

Universidad Andres Bello

Concepción, Chile

15
Eduardo Delgado

Professor

Physical-Chemistry

FACULTAD DE CIENCIAS QUIMICAS,UNIVERSIDAD DE CONCEPCION

Concepcion, Chile

11
Joel Alderete

Full Professor

Universidad de Talca

Talca, Chile

10
Veronica Jimenez

Assistant Professor

Chemistry

Universidad Andres Bello

Talcahuano, Chile

5
Maria Mendoza

Investigadora Postdoctoral

Ciencias Químicas

Universidad Andrés Bello

Talcahuano, Chile

4
Matías Zúñiga

Postdoctorado

Centro de Bioinformática y Simulación Molecular

Universidad de Talca

TALCA, Chile

2
Fabiola Medina

Académico

Departamento de Química

Universidad del Bío-Bío

Concepción, Chile

1
Omar Alvarado

Docente

Departamento de Química

Universidad del Bio-Bio

Concepción, Chile

1
Wilson Cardona

Chemistry Department Area Coordinator

Chemistry

Universidad Andrés Bello

Talcahuano, Chile