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Figure 1 | Journal of Cheminformatics

Figure 1

From: Combining docking with pharmacophore filtering for improved virtual screening

Figure 1

A cartoon illustration of the pharmacophore filtering method. A hypothetical binding site is shown in the central box, with interaction site points for a hydrogen bond donor (blue circle), and a hydrogen bond acceptor (red circle). A hypothetical set of docked poses is shown around the edges, superimposed on the interaction sites. The only pose which passes the filters and fits the binding site is circled while the others are crossed out.

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