Figure 1From: MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clustersWork-flow of MOLA software. When a virtual screening project is initiated, MOLA software performs automatically several tasks for both AutoDock4 and Vina (grey rectangles). Some tasks rely on third-party tools that are automatically called when need (white rectangle). This scheme also presents: (A) the steps need to prepare the input files before launching MOLA and (B) the steps automated by MOLA.Back to article page