DFT and ab-initio study on the mechanism of the gas-phase elimination kinetics of 1-chloro-3-methylbut-2-ene and 3-chloro-3-methylbut-1-ene and their isomerization. - Jesús Lezama; José Ramón Mora; Edgar Márquez; Tania Córdova; Gabriel Chuchani (J. Comput. Methods Sci. Eng., 2012)

The thermal decomposition of 4-bromobutyric acid in the gas phase: A quantum chemical theory calculation. - Maria M. Tosta; José Ramón Mora; Tania Córdova; Gabriel Chuchani (J. Comput. Methods Sci. Eng., 2012)

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)

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)

Rethinking the applicability domain analysis in QSAR models. - José Ramón Mora; Edgar Márquez; Noel Pérez-Pérez; Ernesto Contreras-Torres; Yunierkis Pérez-Castillo; Guillermín Agüero-Chapín; Felix Martinez-Rios; Yovani Marrero-Ponce; Stephen J. Barigye (J. Comput. Aided Mol. Des., 2024)