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José Luís Velázquez Libera

Postdoctorado ANID

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 - 2023
Postdoctorado ANID Full Time

UNIVERSIDAD DE TALCA

Facultad de Ingeniería

Talca, Chile

2024 - 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


Adapted DFTB3 Repulsive Potentials Reach DFT Accuracy for Hydride Transfer Reactions in Enzymes Velazquez-Libera, Jose Luis; Recabarren, Rodrigo; Saez, David Adrian; Castillo, Carlos; Ruiz-Pernia, J. Javier; Tunon, Inaki; Vohringer-Martinez, Esteban Article ISI JOURNAL OF COMPUTATIONAL CHEMISTRY (2025)
CorrEA: A Web Server for Optimizing Correlations between Calculated Energies and Activities in Ligand-Receptor Systems Considering Multiple Binding Site Conformations Alfaro, Sergio; Gonzalez-Norambuena, Fabian; Velazquez-Libera, Jose Luis; Adasme-Carreno, Francisco; Caballero, Julio Article ISI JOURNAL OF CHEMICAL INFORMATION AND MODELING (2025)
Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory VelÃ¡zquez-Libera J.L.; Recabarren R.; Vöhringer-Martinez, E.; Salgueiro, Y; Ruiz-Pernía, JJ; Caballero, J; Tunon, I Article ISI JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2025)
Understanding the Interactions of Ubiquitin-Specific Protease 7 with Its Substrates through Molecular Dynamics Simulations: Insights into the Role of Its C-Terminal Domains in Substrate Recognition VelÃ¡zquez-Libera J.L.; Caballero, J; Alzate-Morales, J; Ruiz-Pernía, JJ; Tunon, I Article ISI JOURNAL OF CHEMICAL INFORMATION AND MODELING (2024)
Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking Castillo-Campos, Luis; Caballero, Julio Article ISI Frontiers in Molecular Biosciences (2023)
Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations. Caballero, Julio Article ISI CHEMCATCHEM (2023)
Testing Affordable Strategies for the Computational Study of Reactivity in Cysteine Proteases: The Case of SARS-CoV-2 3CL Protease Inhibition 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 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 Caballero, Julio; 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 Muniz, Francisco M.; Belmar, Julio; Luis Velazquez-Libera, Jose; 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 Collina, S 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 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 Murillo-LÃ³pez J.A. Article ISI SCOPUS International Journal of Molecular Sciences (IJMS) (2019)
Synthesis of diN-Substituted Glycyl-Phenylalanine Derivatives by Using Ugi Four Component Reaction and Their Potential as Acetylcholinesterase Inhibitors Prent-Penaloza, L 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. 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 Proyecto (2017)