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(a) Crystallographic pose of celecoxib complexed with COX-2 showing residues within 3 Å of the ligand and H-bonds highlighted in dashed magenta (Chimera51 definitions). (b) Celecoxib with p-tolyl group removed showing exposed attachment point (AP). (c) Overlay of TAIL fragments in the p-tolyl iso-table used for AP refinement from 20 to 3446 entries.
