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| Cluster of docking solutions | No of poses in cluster | Top XP Gscore (kcal/mol) | RMSD (Å) versus top ranked solution |
|---|---|---|---|
| Binding mode 1 | 6 | −10.02 | 0 |
| Binding mode 2 | 3 | −8.61 | 4.41 |
| Binding mode 3 | 1 | −8.46 | 8.50 |
