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. Author manuscript; available in PMC: 2013 Sep 1.
Published in final edited form as: ChemMedChem. 2012 Sep;7(9):1551–1566. doi: 10.1002/cmdc.201200319

Figure 1.

Figure 1

Docking results for compounds 12–20; calculated binding free energies are relative to the calculated binding free energy of docked bexarotene with negative numbers indicating better binding. Triangles represent docks to 1MVC, circles to 1H9U; open symbols represent AutoDockTool charges, and closed symbols OpenBabel charges. Compounds are listed from left to right by increasing docking free energies averaged over the various protocols.