Figure 13.

Refinement results for celecoxib employing (a) DOCK_DN with the generic library and (b) DOCK_SWAP with the p-tolyl iso-table library. Each row shows the total number of analogs constructed, the subset of analogs that scored better than the celecoxib reference, and the top 5 entries. DOCK6 SGE scores and score components in kcal/mol. Protein residues hidden for clarity.