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

Table 6. Molecular Docking Analysis of Top Ten Results: Biophysical Interaction of Poly-o,m-chloroaniline with S. aureus DNA Gyrase Complex.

name of solution TBE (kcal/mol) AvdW energy (kcal/mol) RvdW energy (kcal/mol) ACE (kcal/mol)
9 –42.38 –16.15 0.00 –11.45
1 –41.54 –14.92 20.72 –13.60
6 –38.69 –14.42 1.25 –11.58
8 –37.76 –13.96 2.55 –12.35
4 –37.64 –15.80 4.39 –11.00
3 –34.74 –11.81 1.82 –12.15
10 –29.16 –13.63 2.09 –6.76
5 –27.69 –14.65 1.25 –4.42
2 –25.97 –13.45 2.31 –4.92
7 –24.46 –12.79 1.96 –4.41