A computational study of the reaction mechanism involved in the fast cleavage of an unconstrained amide bond assisted by an amine intramolecular nucleophilic attack. - Sebastián Adolfo Cuesta; Luis Rincón; Fernando Javier Torres; Vladimir Rodriguez; José Ramón Mora (J. Comput. Chem., 2021)

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)