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Expanding the Druggable Space of the LSD1/CoREST Epigenetic Target: New Potential Binding Regions for Drug-Like Molecules, Peptides, Protein Partners, and Chromatin

Figure 4

Comparison between FTMap and SiteMap druggability mapping.

The top-five FTMap consensus sites (red spheres) and SiteMap sites (surfaces) are displayed as calculated for X-ray and MD structures. DSV Visualize was used to display the FTMap and SiteMap results, coloring the SiteMap sites according the MD centroid rank. In all cases SiteMap surfaces overlap with FTMap spheres and predict druggable regions beyond FTMap predicted space.

Figure 4