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. 2013 Dec 23;289(9):5828–5845. doi: 10.1074/jbc.M113.478495

FIGURE 6.

FIGURE 6.

Comparison of the global minimum energy conformers (global min) and docked conformers of ORG27569 and PHR015. A, final docked conformer of ORG27569 (lime green) is shown overlaid on its global min (orange); the energy expense of ORG27569 to adopt its docked conformation was calculated to be 0.72 kcal/mol. B, final docked conformer of PHR015 (lavender) is shown overlaid on its global min (mauve); the energy expense of PHR015 to adopt its docked conformation was calculated to be 0.44 kcal/mol. C, global min of PHR015 (mauve) is shown overlaid with the global min of ORG27569 (orange).