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. 2023 Nov 16;8(47):44812–44819. doi: 10.1021/acsomega.3c05970

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