Table 1.
EF2 for all individual docking programs and consensus strategies using individual structures.
| System | CDK2 | ESR1 | ADRB2 | CAH2 | ||||
|---|---|---|---|---|---|---|---|---|
| Structure | 4KD1 | 1FVV | 1XP9 | 3ERT | 3PDS | 4LDO | 1BCD | 4PQ7 |
| AutoDock | 3.0 | 13.0 | 14.6 | 13.8 | 3.6 | 5.8 | 0.7 | 2.2 |
| ICM | 6.0 | 14.0 | 18.9 | 18.9 | 11.7 | 17.5 | 1.5 | 3.2 |
| LeDock | 10.0 | 14.0 | 6.7 | 9.8 | 2.2 | 3.6 | 8.1 | 7.1 |
| rDock | 4.0 | 16.0 | 16.5 | 19.7 | 6.6 | 6.8 | 5.1 | 8.8 |
| Smina | 5.0 | 6.0 | 15.4 | 15.0 | 4.4 | 1.2 | 3.4 | 5.6 |
| AutoDock Vina | 2.0 | 7.0 | 9.8 | 9.5 | 4.6 | 2.2 | 3.2 | 2.0 |
| RSF | 2.0 | 2.0 | 0.8 | 0.4 | 0.0 | 1.0 | 1.2 | 0.7 |
| AASS | 7.0 | 20.0 | 11.4 | 10.2 | 3.2 | 5.1 | 8.8 | 6.8 |
| RbN | 7.0 | 13.0 | 18.9 | 17.3 | 8.0 | 15.8 | 5.6 | 6.3 |
| Z-score | 6.0 | 19.0 | 18.1 | 20.5 | 9.2 | 10.0 | 10.5 | 9.8 |
| RbR | 7.0 | 17.0 | 17.7 | 18.5 | 9.0 | 10.0 | 9.5 | 8.1 |
| RbV | 6.8 | 19.1 | 19.9 | 21.1 | 9.2 | 9.5 | 8.3 | 9.3 |
| ECR | 6.0 | 21.0 | 21.7 | 22.8 | 11.9 | 10.4 | 8.3 | 9.0 |
RbV and ECR strategies were calculated for a threshold equal to the 5% of the dataset.