Table 5. Molecular Docking Analysis of Top Ten Results: Biophysical Interaction of Poly-o,m-chloroaniline with Human Topoisomerase III b Domain.
| name of solution | TBE (kcal/mol) | AvdW energy (kcal/mol) | RvdW energy (kcal/mol) | ACE (kcal/mol) |
|---|---|---|---|---|
| 8 | –37.11 | –15.82 | 3.67 | –10.76 |
| 4 | –31.52 | –12.92 | 0.43 | –8.62 |
| 5 | –27.42 | –10.60 | 4.23 | –7.80 |
| 3 | –24.91 | –10.23 | 2.42 | –7.97 |
| 10 | –24.30 | –13.73 | 0.27 | –3.37 |
| 9 | –19.55 | –9.91 | 4.40 | –6.11 |
| 7 | –19.48 | –12.17 | 4.55 | --3.56 |
| 6 | –15.52 | –10.06 | 3.57 | –9.00 |
| 2 | –14.15 | –13.39 | 10.40 | –2.33 |
| 1 | –11.21 | –8.18 | 1.02 | –0.65 |