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. Author manuscript; available in PMC: 2012 Jul 1.
Published in final edited form as: Chem Biol Drug Des. 2011 Apr 27;78(1):137–149. doi: 10.1111/j.1747-0285.2011.01119.x

Figure 1.

Figure 1

Docking scores to different conformers indicate ligands’ preferences towards different receptor conformation. (A) linear fitting of the computational RBAratio and experimental RBAratio values. The fitting coefficient was about 0.95, indicating a good fit to experimental RBAratio. (B) and (C) linear fitting of RBAratio (agonist), RBAratio (antagonist), and experimental RBAratios. The RBAratio (agonist) positively correlates with experimental RBAratio, while the RBAratio (antagonist) reversely correlates with experimental RBAratio. The edges of the scatter dots area are shown by dashed lines. (D) docking score ratios of some known SERMs. The docking scores reflect ligands efficacy and match with experiments in the literature (see text).