Figure 3
Top virtual screening hits from the focused set database (blue squares) and the random set database (red triangles) for three selected kinase targets: a) B-Raf; b) MK2; and c) CDK2. For each target, only those selected docking hits are shown that yielded a better docking score than the native ligand docking score for both screening libraries, i.e., the focused set and the random set. A significant difference was observed in the number of selected hits between these library sets, with better enrichment of the focused set of compounds.