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. Author manuscript; available in PMC: 2015 Feb 8.
Published in final edited form as: ChemMedChem. 2013 Aug 8;8(10):1681–1689. doi: 10.1002/cmdc.201300271

Figure 2.

Figure 2

Top-ranked binding pose for compound 2 bound to GR from B. subtilis, as predicted by docking (a). Also, binging pose for compound 2 after 4 nsec of MD simulation with explicit water (b).