Table 2.
Binding energy of dicoumarols.
| CID | Binding energy (kcal/mole) |
|
|---|---|---|
| Pose A | Pose B | |
| 1 | −9.3 | −9.3 |
| 2 | nf | −8.9 |
| 3 | −9.0 | −8.8 |
| 4 | −9.4 | −9.6 |
| 5 | −9.0 | −8.7 |
| 6 | −8.9 | nf |
| 7 | −8.5 | −8.5 |
| 8 | −8.8 | −8.8 |
| 9 | −8.1 | −9.5 |
| 10 | −8.4 | −8.5 |
| 11 | −9.6 | −9.3 |
| 12 | −9.0 | −8.8 |
| 13 | nf | −8.6 |
| 14 | −8.2 | −8.2 |
| 15 | −8.6 | −8.5 |
| 16 | nf | −8.4 |
| 17 | nf | −8.5 |
| 18 | −8.3 | nf |
| 19 | −8.2 | nf |
| 20 | −9.4 | −9.6 |
Note: nf: not found.