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Figure 1 | Journal of Cheminformatics

Figure 1

From: MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters

Figure 1

Work-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.

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Journal of Cheminformatics

ISSN: 1758-2946

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