A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases

A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases

Eurtivong C, Zimmer C, Schirmeister T, Butkinaree C, Saruengkhanphasit R, Niwetmarin W, Ruchirawat S, Bhambra AS

Mol Divers. 2023.
(In press)