In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target
Fig 4
ECR-docking VS stage over the Pretswick library.
Enrichment plot using the ECR (black line) from the best Autodock4.2 pose that is re-scored with four scoring functions (Autodock4.2, Vina, Vinardo and CYscore). The shaded area encloses the best and worst behaviors for the individual scoring functions. The enrichment plot is normalized by the initial database values (39-ligands and 1993 compounds). The violet line shows the threshold for the selection of molecules for the third VS stage.