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 H. S. da Costa; Peter W Kenny; Carlos Alberto Montanari; Jaldyr de Jesus G Varela Júnior; Jerônimo Lameira
Journal of Chemical Information and Modeling Washington: American Chemical Society v. 62, p. 4083-4094, 2022Washington 2022
Localização: IQSC - Inst. Química de São Carlos (P20065 )(Acessar)