Table 2 Basic statistics showing the distribution of Maestro and MOE protomers for the respective docking runs
| Â | MOE | Maestro | ||||||
|---|---|---|---|---|---|---|---|---|
Bioactives (n = 2) | Mean | SD | Min | Max | Mean | SD | Min | Max |
Rank | 85.5 | NA | 11 | 160 | 421.5 | NA | 110 | 733 |
Docking score | 104.70 | NA | 91.07 | 118.30 | 83.97 | NA | 75.23 | 92.72 |
Decoys (n = 435) |  |  |  |  |  |  |  |  |
Rank | 648.6 | 356.5 | 8 | 1240 | 646.7 | 358.3 | 7 | 1240 |
Docking score | 77.33 | 12.34 | 39.19 | 120.80 | 75.63 | 12.28 | 39.24 | 112.30 |