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Figure 2 | BMC Bioinformatics

Figure 2

From: Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists

Figure 2

Study design depicting the overall workflow of this study. Three ligand sets are used for docking. While the first set of ligands is derived from the crystal structures available from the PDB, the second and third sets of ligands and decoys, respectively, are obtained from the DUD website. Results from the first and second sets of docking will be used to evaluate the ability of the CDA to differentiate agonists and antagonists while the results from the second and third sets of dockings will be combined and used to calculate enrichment factors.

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BMC Bioinformatics

ISSN: 1471-2105

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