MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. - Gustavo Cárdenas; Jesús Lucia-Tamudo; Henar Mateo-delaFuente; Vito F. Palmisano; Nuria Anguita-Ortiz; Lorena Ruano; Álvaro Pérez-Barcia; Sergio Díaz-Tendero; Marcos Mandado; Juan J. Nogueira (J. Comput. Chem., 2023)

Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. - Álvaro Pérez-Barcia; Gustavo Cárdenas; Juan J. Nogueira; Marcos Mandado (J. Chem. Inf. Model., 2023)

Permeation of Polychlorinated Biphenyls Through Lipid Membranes: Classical MD and QM/MM-EDA Analysis. - Nicolás Ramos-Berdullas; Álvaro Pérez-Barcia; Lorena Ruano (ICCSA (Workshops 12), 2025)