Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches. - Jesús Lucia-Tamudo; Gustavo Cárdenas; Nuria Anguita-Ortiz; Sergio Díaz-Tendero; Juan J. Nogueira (J. Chem. Inf. Model., 2022)

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)