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)