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D PMF profile information of the cyclic peptide–UEV domain complex structure.
| Cyclic Peptides | Peptide Docking Simulation | GaMD Refinement | ||||
|---|---|---|---|---|---|---|
| RMSD (Å) | C.M. (Å) | PMF (kcal/mol) | RMSD (Å) | C.M. (Å) | PMF (kcal/mol) | |
| CP1 | 2.5 | 8.6 | 14.6 | 1.0 | 5.0 | 0.0 |
| CP2 | 1.5 | 10.4 | 11.5 | 2.0 | 9.0 | 0.0 |
| CP3 | 1.7 | 9.8 | 14.3 | 2.0 | 7.0 | 0.0 |
