Figure 3.

Residence times of ligand in the binding pocket. Average residence time for each decoy of each target tested, in units of 100 time steps. Each point represents the average residence time of the ligand in each pose over the 100 replica simulations for each pose. Error bars represent the standard error in residence time over the 100 replica simulations; in most cases, error is small enough that points and error bars cannot be distinguished. The native pose is circled, and the dashed line indicates the average residence time of the native pose.