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Predicted binding free energy and its individual terms (kJ/mol).
| Contribution | Cordycepin (kJ/mol) |
|---|---|
| ΔGvdw | −114.113 ± 0.732 |
| ΔGele | −15.179 ± 0.642 |
| ΔGpb | 59.170 ± 1.226 |
| ΔGsa | −13.222 ± 0.060 |
| ΔGmm | −129.29 |
| ΔGsol | 45.95 |
| ΔGnopolar | −127.33 |
| ΔGpolar | 43.99 |
| ΔGpredict | −83.324 ± 1.122 |
