Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening
Figure 6
Frequency distributions describing the performance of different protocols, as assessed by the BEDROC metric, with α = 20.
The red bordered transparent grey rectangle represents the threshold of randomness. The indigo area represents the frequency distribution of the results for the individual runs (average), the blue area represents the frequency distribution of the results for the best single performing conformer from each ensemble, the red area represents the frequency distribution of the results for the MRC-rank including all available conformer for each ensemble, and the green area represents the frequency distribution of the results for the MRC-rank, dropping the conformers that provide a positive score for each ligand.