Filtering MD snapshots
for a priori identification
of high enrichment structures. ROC curves for (A) EGFR and (B) Src
protein kinases. Black, red, green, yellow, blue, and magenta curves
cutoffs that correspond to crystal structure, 50, 60, 70, 80, and
90% of ROC-AUC range defined as ROC-AUCMAX – ROC-AUCMIN. The number in the legend is the ROC-AUC for each threshold.