Luan Carvalho Martins, Pedro Henrique Monteiro Torres, Renata Barbosa de Oliveira, Pedro G. Pascutti, Elio A. Cino, Rafaela Salgado Ferreira. Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations. Journal of Computer-Aided Molecular Design, 32(5):591-605, 2018. [doi]
Abstract is missing.