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José Luís Velázquez Libera

Académico Investigador de la Planta no Regular

Universidad de Talca

Talca, Chile

1. Estudio de Catálisis Enzimática a nivel QM/MM. 2. Modelización Molecular de sistemas biológicos en fase líquida. 3. Bioinformática estructural. 4. Quimioinformática y desarrollo de herramientas computacionales para análisis de datos biológicos.

Doctor en Ciencias Aplicadas, UNIVERSIDAD DE TALCA. Chile, 2020
Máster en Bioinformática y Biología Computacional, UNIVERSIDAD CENTRAL DE LAS VILLAS. Cuba, 2015
Licenciado en Radioquímica, Instituto Superior de Tecnologías y Ciencias Aplicadas (InSTEC) . Cuba, 2012

Profesor Instructor Full Time

Universidad de Las Tunas

Ciencias Técnicas

Las Tunas, Cuba

2014 - 2016
Profesor Instructor Full Time

Universidad de Las Tunas

Ciencias Técnicas

Las Tunas, Chile

2012 - 2014
Académico Investigador de la Planta no Regular Full Time

UNIVERSIDAD DE TALCA

Facultad de Ingeniería

Talca, Chile

2021 - A la fecha

Profesor Full Time

Universidad de Las Tunas

Las Tunas, Cuba

2012 - 2016
Académico Investigador de la Planta no Regular Full Time

Universidad de Talca

Talca, Chile

2021 - A la fecha


Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition Ramos-Guzmán, Carlos A.; Velázquez-Libera, José Luis; Ruiz-Pernía, J. Javier; Tuñon, Iñaki Article ISI JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)
LigRMSD: a web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking Velazquez-Libera, Jose Luis; Duran-Verdugo, Fabio; Valdes-Jimenez, Alejandro; Nunez-Vivanco, Gabriel; Caballero, Julio Article ISI BIOINFORMATICS (2020)
On the Nature of the Enzyme-Substrate Complex and the Reaction Mechanism in Human Arginase I. A Combined Molecular Dynamics and QM/MM Study Velazquez-Libera, Jose L.; Caballero, Julio; Tunon, Inaki; Hernandez-Rodriguez, Erix W.; Javier Ruiz-Pernia, J. Article ISI ACS CATALYSIS (2020)
A study of the cis-trans isomerization preference of N-alkylated peptides containing phosphorus in the side chain and backbone de la Torre, Alexander F.; Ali, Akbar; Concepcion, Odette; Montero-Alejo, Ana L.; Muniz, Francisco M.; Jimenez, Claudio A.; Belmar, Julio; Luis Velazquez-Libera, Jose; Hernandez-Rodriguez, Erix W.; Caballero, Julio Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2019)
Docking, Interaction Fingerprint, and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) of Sigma1 Receptor Ligands, Analogs of the Neuroprotective Agent RC-33 Velazquez-Libera, JL; Rossino, G; Navarro-Retamal, C; Collina, S; Caballero, J Article ISI FRONTIERS IN CHEMISTRY (2019)
Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity Velazquez-Libera, JL; Caballero, J; Toropova, AP; Toropov, AA Article ISI SCOPUS CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2019)
Structural Requirements of N-alpha-Mercaptoacetyl Dipeptide (NAMdP) Inhibitors of Pseudomonas Aeruginosa Virulence Factor LasB: 3D-QSAR, Molecular Docking, and Interaction Fingerprint Studies VelÃ¡zquez-Libera J.L.; Caballero J.; Murillo-LÃ³pez J.A.; de la Torre A.F. Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2019)
Synthesis of diN-Substituted Glycyl-Phenylalanine Derivatives by Using Ugi Four Component Reaction and Their Potential as Acetylcholinesterase Inhibitors Prent-Penaloza, L; de la Torre, AF; Velazquez-Libera, JL; Gutierrez, M; Caballero, J Article ISI SCOPUS MOLECULES (2019)
Insights into the structural requirements of 2(S)-amino-6-boronohexanoic acid derivatives as arginase i inhibitors: 3D-QSAR, docking, and interaction fingerprint studies VelÃ¡zquez-Libera J.L.; Navarro-Retamal C.; Caballero J. Article ISI SCOPUS INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2018)


Design and synthesis of angiotensin-converting enzyme inhibitors using molecular modeling and multicomponent reactions Caballero, Julio; Gutiérrez M; Villasenor, Jorge Proyecto (2017)