Computational prediction of potential inhibitors for SARS-COV-2 main protease based on machine learning, docking, MM-PBSA calculations, and metadynamics

por Gomes, Isabela de Souza, Santana, Charles Abreu, Marcolino, Leandro Soriano, de Lima, Leonardo Henrique França, de Melo-Minardi, Raquel Cardoso, Dias, Roberto Sousa, de Paula, Sérgio Oliveira, Silveira, Sabrina de Azevedo
Publicado 2022