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The Binding Free Energy between K18 and fisetin
| Energy (kJ/mol) | K18 & 2 fisetin | K18 & 5 fisetin | K18 & 10 fisetin |
|---|---|---|---|
| van der Waal energy | −176.882 ± 47.778 | −452.113 ± 63.044 | −557.411 ± 89.625 |
| Electrostatic energy | −39.642 ± 24.174 | −246.164 ± 52.970 | −270.664 ± 79.890 |
| Polar solvation energy | 160.090 ± 55.951 | 554.831 ± 69.535 | 625.158 ± 121.528 |
| SASA energy | −19.390 ± 5.132 | −51.314 ± 5.930 | −63.376 ± 9.059 |
| Binding energy | −75.826 ± 51.769 | −194.760 ± 47.568 | −266.293 ± 74.808 |
