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. Author manuscript; available in PMC: 2012 Nov 1.
Published in final edited form as: J Mol Graph Model. 2011 Sep 18;31:76–86. doi: 10.1016/j.jmgm.2011.09.004

Figure 4.

Figure 4

Superpositions of training set C actives. Panel A. Superposition of actives based on docking with PF8380, thiazolidinedione 17, HA130, and 5186522 shown in red, yellow, cyan, and green sticks, respectively. Panel B. Superposition of actives colored as in panel A based on docking showing nearby enzyme surface colored green for lipophilic and magenta for hydrophilic regions. Panels C–D. Docked superposition of actives colored as in panel A over ligand-based superposition of actives from Table 3 model #1 (Panel C) and model #42 (Panel D).