Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations. - Lucianna Helene Santos; Birgit J. Waldner; Julian E. Fuchs; Glaécia A. N. Pereira; Klaus R. Liedl; Ernesto Raúl Caffarena; Rafaela Salgado Ferreira (J. Chem. Inf. Model., 2019)