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

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