Table 3.
Assessment of the rescoring results
| Sampling | Rescoring | |||
|---|---|---|---|---|
| Glidescore | Surflex | Goldscore | FlexX | |
| A—Number of correct top-rank poses | ||||
| Glide | 65 | 58 | 70 | 63 |
| Surflex | 63 | 56 | 64 | 67 |
| Gold | 64 | 63 | 62 | 62 |
| FlexX | 51 | 58 | 56 | 50 |
| Pool | 75 | 63 | 73 | 64 |
| Sampling | Rescoring | ||||
|---|---|---|---|---|---|
| Glidescore | Surflex | Goldscore | FlexX | USC | |
| B—Number of correct top-4 rank poses | |||||
| Glide | 76 | 74 | 75 | 71 | 75 |
| Surflex | 73 | 72 | 75 | 75 | 74 |
| Gold | 71 | 70 | 71 | 69 | 70 |
| FlexX | 62 | 63 | 62 | 57 | 63 |
| Pool | 82 | 79 | 86 | 72 | 85 |
Number of targets whose top-rank poses (A) or top-4 rank poses (B) are correct after rescoring. Either all poses obtained with a given program were rescored with all programs (lines 1–4) or all poses were grouped in one pool and rescored with all programs (last line). The results of USC are reported in the last column of (B)