Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. - Alberto M. dos Santos; Amanda Ruslana Santana Oliveira; Clauber Henrique Costa; Peter W. Kenny; Carlos Alberto Montanari; Jaldyr de Jesus G. Varela; Jerônimo Lameira (J. Chem. Inf. Model., 2022)