Characterizing the protonation states of the catalytic residues in apo and substrate-bound human T-cell leukemia virus type 1 protease. - Shuhua Ma; Kimberly A. Vogt; Natalie Petrillo; Alyce J. Ruhoff (Comput. Biol. Chem., 2015)

Catalytic Mechanism of Human T-Cell Leukemia Virus Type 1 Protease Investigated by Combined QM/MM Molecular Dynamics Simulations. - Natalie Petrillo; Kim Dinh; Kimberly A. Vogt; Shuhua Ma (J. Chem. Inf. Model., 2023)