Table 4. Molecular Docking Analysis of Top Ten Results: Biophysical Interaction of Poly-o-chloroaniline with 6FM4.
| name of solution | TBE (kcal/mol) | AvdW energy (kcal/mol) | RvdW energy (kcal/mol) | ACE (kcal/mol) |
|---|---|---|---|---|
| 2 | –72.17 | –29.17 | 15.10 | –25.22 |
| 3 | –69.34 | –31.04 | 11.95 | –24.30 |
| 6 | –65.12 | –27.78 | 15.17 | –23.36 |
| 4 | –55.92 | –26.84 | 12.07 | –21.11 |
| 7 | –52.91 | –23.38 | 7.32 | –15.2 |
| 10 | –37.23 | –21.00 | 18.97 | –13.40 |
| 8 | –36.72 | –26.17 | 26.76 | –18.23 |
| 9 | –35.49 | –22.94 | 23.90 | –12.96 |
| 5 | –32.79 | –31.86 | 61.65 | –28.24 |
| 1 | 5.49 | –32.53 | 118.41 | –30.40 |