Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations. - Luan Carvalho Martins; Pedro Henrique Monteiro Torres; Renata Barbosa de Oliveira; Pedro Geraldo Pascutti; Elio A. Cino; Rafaela Salgado Ferreira (J. Comput. Aided Mol. Des., 2018)

Do Go Chasing Waterfalls: Enoyl Reductase (FabI) in Complex with Inhibitors Stabilizes the Tetrameric Structure and Opens Water Channels. - Vinicius Gonçalves Maltarollo; Ekaterina Shevchenko; Igor Daniel de Miranda Lima; Elio A. Cino; Glaucio Monteiro Ferreira; Antti Poso; Thales Kronenberger (J. Chem. Inf. Model., 2022)