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Docking of the ace-PQQATDD peptide to TRAF2. (A) Bound structure of the peptide (red) and the 3.3-Å model, ranked fourth (cyan). (B) Peptide backbone RMSD versus scoring function when docking the most common structural template alone. (C) Peptide backbone RMSD versus scoring function when using all 25 templates. Docking the ensemble substantially improves the results, and yields samples with less than 4.0-Å backbone RMSD.
