Table 2.
Calculations of binding affinity values of ligand.
| Ligand | Binding Affinity(Kcal/mol) | RMSD/UB | RMSD/LB |
|---|---|---|---|
| Compound A | -7.9 | 0 | 0 |
| Compound A | -7.9 | 45.222 | 42.568 |
| Compound A | -7.8 | 6.098 | 2.512 |
| Compound A | -7.6 | 3.648 | 2.234 |
| Compound A | -7.6 | 33.33 | 30.397 |
| Compound A | -7.6 | 5.423 | 3.36 |
| Compound A | -7.5 | 44.849 | 42.431 |
| Compound A | -7.3 | 42.034 | 39.038 |
| Compound A | -7.3 | 29.39 | 26.432 |
| Acarbose | -7.8 | 0 | 0 |
| Acarbose | -7.7 | 38.975 | 37.361 |
| Acarbose | -7.4 | 13.659 | 11.103 |
| Acarbose | -7.4 | 12.406 | 10.744 |
| Acarbose | -7.4 | 29.074 | 28.218 |
| Acarbose | -7.2 | 26.534 | 25.172 |
| Acarbose | -7.1 | 14.279 | 11.451 |
| Acarbose | -7.1 | 29.109 | 28.068 |
| Acarbose | -7.1 | 13.77 | 11.844 |
Bold values indicate the compound A, B, C, and D.