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. Author manuscript; available in PMC: 2012 Dec 7.
Published in final edited form as: ChemMedChem. 2010 Sep 3;5(9):1594–1608. doi: 10.1002/cmdc.201000175

Figure 8.

Figure 8

Comparison of the binding energies predicted for SB706375 analogues with hUT2R in the Charge Residue Model (CRM) and the Neutral Residue Model (NRM) based on the unified cavity analysis. A) Eight SB706375 analogues with binding affinities are used for binding energy analysis; B) Binding energy analysis of 8 SB analogues for both mode 1237 and mode 3456 with CRM or NRM. These results show that mode 1237 is better than mode 3456, leading to better correlation between binding affinities and binding energies.