Table 1. Average values of H-bonds and values of binding energy of ligands 1-6 with AR.
| Ligand | Duration of H-bonds (% of dynamics trajectory) | ΔG0bind (kkal/mol) |
|
1 |
21 |
-52,7 |
|
2 |
20 |
-50,3 |
|
3 |
19 |
-55,7 |
|
4 |
17 |
-51,5 |
|
5 |
53 |
-57,9 |
|
6 |
13 |
-57,1 |