Understanding Structure–Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations

Santos, Lucianna H ; Waldner, Birgit J ; Fuchs, Julian E ; Pereira, Glaécia A. N ; Liedl, Klaus R ; Caffarena, Ernesto R ; Ferreira, Rafaela S

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.137-148 [Periódico revisado por pares]

United States: American Chemical Society

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