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. Author manuscript; available in PMC: 2013 Apr 1.
Published in final edited form as: Proteins. 2012 Jan 24;80(4):1177–1195. doi: 10.1002/prot.24018

Figure 8.

Figure 8

The ligand RMSD and the retrieval rank difference by Pocket-Surfer and Patch-Surfer. The x-axis shows the average RMSD between the ligand molecule of each query pocket to the other ligands of the same type in the dataset. The y-axis shows the difference in the retrieval rank of each ligand of the same type by Pocket-Surfer and by Patch-Surfer (rank by Pocket-Surfer – rank by Patch-Surfer). A, B, results on the Kahraman dataset using pocket shape information with and without using pocket size information, respectively. C and D are results on the Huang dataset. Retrieval was performed using pocket shape information C, without and D, with pocket size information.