Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations.
Lucianna Helene SantosBirgit J. WaldnerJulian E. FuchsGlaécia A. N. PereiraKlaus R. LiedlErnesto Raúl CaffarenaRafaela Salgado FerreiraPublished in: J. Chem. Inf. Model. (2019)