Fig. 7

Impact of flexible ring conformation (ACE bioactives). Conformation of enalaprilat – (crystal structure in yellow sticks) in complex with ACE (PDB code: 1UZE) compared to docking results achieved after ligand preparation with Maestro (a) and MOE (b). Purple and green sticks indicate the docked poses of enalaprilat by GOLD. c 2D representation of enalaprilat with docking score and rank difference indicated below