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Figure 3 | Journal of Cheminformatics

Figure 3

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

Figure 3

Virtual screening results using MOLA with Retinol binding protein as protein target. We used Retinol binding protein as example protein target and the first 500 compounds of the NCI diversity set II database as ligands. The results for AutoDock4 (dark grey) and Vina (white) are presented as the number of ligands on each of the binding energy Kcal/mol) intervals presented. The bar-graph was prepared with open-office using the results-AD4.csv and results-VINA.csv files automatically opened in the end of the virtual screening experiment.

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