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. Author manuscript; available in PMC: 2011 Oct 19.
Published in final edited form as: Biochemistry. 2010 Oct 19;49(41):9011–9019. doi: 10.1021/bi101139q

Figure 1.

Figure 1

Histograms of energy clusters of 100 conformations generated by docking raloxifene into (A) 1W0E and (B) 1W0E_Modified using AutoDock 3.0. Conformations generated by AutoDock were clustered at RMSD = 2 Å, and then plotted by the lowest energy conformation of each cluster. (*) indicates most abundant/lowest energy cluster predicting raloxifene dehydrogenation. (#) indicates largest cluster that predicts “inactive” conformations. (+) indicates conformation that predicts 3′ hydroxylation of raloxifene.