Design, facile synthesis, and evaluation of novel spiro- and pyrazolo[1, 5-c]quinazolines as cholinesterase inhibitors: Molecular docking and MM/GBSA studies. - Jaime Gálvez; Stivens Polo; Braulio Insuasty; Margarita Gutiérrez; Daniela Cáceres; Jans H. Alzate-Morales; Pedro De-la-Torre; Jairo Quiroga (Comput. Biol. Chem., 2018)

Coarse-Grained Parameters for Divalent Cations within the SIRAH Force Field. - Florencia Klein; Daniela Cáceres; Mónica A. Carrasco; Juan Carlos Tapia; Julio Caballero; Jans H. Alzate-Morales; Sergio Pantano (J. Chem. Inf. Model., 2020)