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. Author manuscript; available in PMC: 2026 Apr 15.
Published in final edited form as: J Comput Chem. 2026 Jan 15;47(2):e70312. doi: 10.1002/jcc.70312

Figure 13.

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.