Interactions of 2-phenyl-benzotriazole xenobiotic compounds with human Cytochrome P450-CYP1A1 by means of docking, molecular dynamics simulations and MM-GBSA calculations. - Karel Mena-Ulecia; Desmond MacLeod-Carey (Comput. Biol. Chem., 2018)

Study of the affinity between the protein kinase PKA and homoarginine-containing peptides derived from kemptide: Free energy perturbation (FEP) calculations. - Karel Mena-Ulecia; Fabián González-Norambuena; Ariela Vergara Jaque; Horacio Poblete; William Tiznado; Julio Caballero (J. Comput. Chem., 2018)