Table 3.
p38MAPK binding energy FlexX
| S. no | Ligand | Protein | MolDock | ReRank | Hbond |
|---|---|---|---|---|---|
| 1 | Compound 1 | 2NOS | – 57.278 | – 48.662 | – 3.420 |
| 2 | Compound 2 | 2NOS | – 77.099 | – 62.866 | 000 |
| 3 | Compound 3 | 2NOS | – 75.863 | – 64.296 | 0000 |
| 4 | SB203580 | 2NOS | – 91.145 | – 76.593 | – 3.555 |
p38MAPK binding energy FlexX
| S. no | Ligand | Protein | MolDock | ReRank | Hbond |
|---|---|---|---|---|---|
| 1 | Compound 1 | 2NOS | – 57.278 | – 48.662 | – 3.420 |
| 2 | Compound 2 | 2NOS | – 77.099 | – 62.866 | 000 |
| 3 | Compound 3 | 2NOS | – 75.863 | – 64.296 | 0000 |
| 4 | SB203580 | 2NOS | – 91.145 | – 76.593 | – 3.555 |