Alberto M. dos Santos, Amanda Ruslana Santana Oliveira, Clauber Henrique Costa, Peter W. Kenny, Carlos A. Montanari, Jaldyr de Jesus G. Varela, Jerônimo Lameira. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Computer Sciences, 62(17):4083-4094, 2022. [doi]
Abstract is missing.