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Figure 3 | Chemistry Central Journal

Figure 3

From: PocketPicker: analysis of ligand binding-sites with shape descriptors

Figure 3

Placement of spheres for a two-dimensional molecule in PASS. A: The entire surface of the molecule is coated with virtual spheres and an initial layer of spheres residing in buried parts of the protein is specified (blue shaded circles). B: Additional layers are attached onto the initial layer in an iterative process and active site points (red disks) are exposed for potential binding pockets.

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