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. 2013 Jun 28;27(6):525–538. doi: 10.1007/s10822-013-9660-8

Fig. 4.

Fig. 4

Fig. 4

Calculated binding energies of muscarinic antagonists docked to homology models. Calculated binding energies of the antagonists QNB (squares), NMQNB (downward triangles), NMS (circles) and atropine (upward triangles) in YASARA (y-axis) are plotted against the binding energies calculated in Prime MMGB/SA (x-axis). Good poses are black, and bad poses are red. Closed symbols denote the best poses