Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations
Martins, Luan Carvalho, Torres, Pedro Henrique Monteiro, de Oliveira, Renata Barbosa, Pascutti, Pedro Geraldo, Cino, Elio A., Ferreira, Rafaela SalgadoLanguage:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-018-0112-3
Date:
March, 2018
File:
PDF, 4.79 MB
english, 2018