Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT. - Ysaias José Alvarado; Yosmari Olivarez; Carla Lossada; Joan Vera-Villalobos; José Luis Paz; Eddy Vera; Marcos Loroño; Alejandro Vivas; Fernando Javier Torres; Laura N. Jeffreys; María Laura Hurtado-León; Lenin González-Paz (Comput. Biol. Chem., 2022)

Comparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors. - Lenin González-Paz; María José Alvarado; María Laura Hurtado-León; Carla Lossada; Joan Vera-Villalobos; Marcos Loroño; José Luis Paz; Laura N. Jeffreys; Fernando Javier Torres; Ysaias José Alvarado (Comput. Biol. Medicine, 2022)

Propagation and Parametric Amplification in Four-Wave Mixing Processes: Intramolecular Coupling and High-Order Effects. - José Luis Paz; Patricio J. Espinoza-Montero; Marcos Loroño; Fernando Javier Torres; Lenin González-Paz; Edgar Márquez; Joan Vera-Villalobos; José Ramón Mora; Fernando Moncada; Ysaias José Alvarado (Symmetry, 2022)

Study of potential inhibition of the estrogen receptor α by cannabinoids using an in silico approach: Agonist vs antagonist mechanism. - Cristian Rocha-Roa; Eliceo Cortes; Sebastián Adolfo Cuesta; José Ramón Mora; José Luis Paz; Máryury Flores-Sumoza; Edgar Márquez (Comput. Biol. Medicine, 2023)

ElectroPredictor: An Application to Predict Mayr's Electrophilicity E through Implementation of an Ensemble Model Based on Machine Learning Algorithms. - Sebastián Adolfo Cuesta; Martín Moreno; Romina A. López; José Ramón Mora; José Luis Paz; Edgar Márquez (J. Chem. Inf. Model., 2023)

Computational approaches for lead compound discovery in dipeptidyl peptidase-4 inhibition using machine learning and molecular dynamics techniques. - Sandra De La Torre; Sebastián Adolfo Cuesta; Luis Calle; José Ramón Mora; José Luis Paz; Patricio J. Espinoza-Montero; Máryury Flores-Sumoza; Edgar Márquez (Comput. Biol. Chem., 2024)