Table 1. Details of the five highest-ranked, by RDOCK score, rigid-body docking poses.
Rank | Pose | Cluster | RDOCK score | Contact SASA (Å2) |
---|---|---|---|---|
1 | 1904 | 1 | –36.20 | 966.44 |
2 | 1704 | 1 | –35.31 | 957.56 |
3 | 1843 | 1 | –34.09 | 1,002.44 |
4 | 1334 | 6 | –33.39 | 897.13 |
5 | 1644 | 2 | –31.52 | 705.93 |
*SASA stands for solvent accessible surface area.