Figure 7.

Average residence times for cross-docked system. We find that cross-docking of pantoate into pantothenate synthetase using the enzyme coordinates taken from its complex with a different ligand, the bulky AMPCPP molecule, causes the ranking of the native pose (red circle) to fall to 12/62. However, the average residence time of the native pose (dashed line) is within error of most of the higher-ranking decoys (error denoted by dotted lines), and a near-native pose (arrow) ranks 4/62, with error bars overlapping with the highest-scoring decoys.