Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking. - Sergio R. Ribone; S. Alexis Paz; Cameron F. Abrams; Marcos Ariel Villarreal (J. Comput. Aided Mol. Des., 2022)

SAnDReS 2.0: Development of machine-learning models to explore the scoring function space. - Walter Filgueira de Azevedo Jr.; Rodrigo Quiroga; Marcos Ariel Villarreal; Nelson José Freitas da Silveira; Gabriela Bitencourt-Ferreira; Amauri Duarte da Silva; Martina Veit-Acosta; Patricia Rufino Oliveira; Marco Tutone; Nadezhda Yu. Biziukova; Vladimir Poroikov; Olga A. Tarasova; et al. (J. Comput. Chem., 2024)