Comparison of the success rates of HCovDock and five other docking methods on an independent set of 81 complexes under two different RMSD criteria when the ‘Top Pose’ and the ‘Best Pose’ are considered, respectively, where the results of the methods other than HCoveDock are taken from the literature [34]. The number in bold font indicates the highest success rate for the category.
| Type . | RMSD . | Success rates . | |||||
|---|---|---|---|---|---|---|---|
| . | . | HCovDock . | Cov_DOX . | ICM-Pro . | CovDock . | GOLD . | MOE . |
| Top Posea | < 1 Å | 42.0% | 22.2% | 27.2% | 29.6% | 19.8% | 2.5% |
| < 2 Å | 65.4% | 61.7% | 49.6% | 64.2% | 54.3% | 54.3% | |
| Best Poseb | < 1 Å | 60.5% | 42.0% | 27.2% | 35.8% | 30.9% | 8.6% |
| < 2 Å | 85.2% | 88.9% | 64.2% | 75.3% | 64.2% | 77.8% | |
| Type . | RMSD . | Success rates . | |||||
|---|---|---|---|---|---|---|---|
| . | . | HCovDock . | Cov_DOX . | ICM-Pro . | CovDock . | GOLD . | MOE . |
| Top Posea | < 1 Å | 42.0% | 22.2% | 27.2% | 29.6% | 19.8% | 2.5% |
| < 2 Å | 65.4% | 61.7% | 49.6% | 64.2% | 54.3% | 54.3% | |
| Best Poseb | < 1 Å | 60.5% | 42.0% | 27.2% | 35.8% | 30.9% | 8.6% |
| < 2 Å | 85.2% | 88.9% | 64.2% | 75.3% | 64.2% | 77.8% | |
aThe ‘Top Pose’ refers to the top-ranked binding pose according to its score or its calculated energy. bThe ‘Best Pose’ refers to the most crystal-structure like pose in the conformation space regardless of its score or energy. The success rate of the ‘Best Pose’ is based on the top 10 poses for HCovDock and Cov_DOX, and all the sampled poses for the other methods.
Comparison of the success rates of HCovDock and five other docking methods on an independent set of 81 complexes under two different RMSD criteria when the ‘Top Pose’ and the ‘Best Pose’ are considered, respectively, where the results of the methods other than HCoveDock are taken from the literature [34]. The number in bold font indicates the highest success rate for the category.
| Type . | RMSD . | Success rates . | |||||
|---|---|---|---|---|---|---|---|
| . | . | HCovDock . | Cov_DOX . | ICM-Pro . | CovDock . | GOLD . | MOE . |
| Top Posea | < 1 Å | 42.0% | 22.2% | 27.2% | 29.6% | 19.8% | 2.5% |
| < 2 Å | 65.4% | 61.7% | 49.6% | 64.2% | 54.3% | 54.3% | |
| Best Poseb | < 1 Å | 60.5% | 42.0% | 27.2% | 35.8% | 30.9% | 8.6% |
| < 2 Å | 85.2% | 88.9% | 64.2% | 75.3% | 64.2% | 77.8% | |
| Type . | RMSD . | Success rates . | |||||
|---|---|---|---|---|---|---|---|
| . | . | HCovDock . | Cov_DOX . | ICM-Pro . | CovDock . | GOLD . | MOE . |
| Top Posea | < 1 Å | 42.0% | 22.2% | 27.2% | 29.6% | 19.8% | 2.5% |
| < 2 Å | 65.4% | 61.7% | 49.6% | 64.2% | 54.3% | 54.3% | |
| Best Poseb | < 1 Å | 60.5% | 42.0% | 27.2% | 35.8% | 30.9% | 8.6% |
| < 2 Å | 85.2% | 88.9% | 64.2% | 75.3% | 64.2% | 77.8% | |
aThe ‘Top Pose’ refers to the top-ranked binding pose according to its score or its calculated energy. bThe ‘Best Pose’ refers to the most crystal-structure like pose in the conformation space regardless of its score or energy. The success rate of the ‘Best Pose’ is based on the top 10 poses for HCovDock and Cov_DOX, and all the sampled poses for the other methods.
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