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The binding free energy and components of 5f and 7k (kcal/mol)
| Terms | ΔEvdw | ΔEele | ΔEegb | ΔEesurf | ΔGgas | ΔGsolv | ΔGbind |
|---|---|---|---|---|---|---|---|
| 5f | −59.10 (0.30) | −15.10 (0.42) | 27.40 (0.38) | −5.18 (0.02) | −74.20 (0.57) | 22.22 (0.37) | −51.98 (0.45) |
| 7k | −82.24 (0.42) | −16.34 (0.55) | 40.95 (0.45) | −6.80 (0.03) | −98.57 (0.79) | 34.15 (0.45) | −64.42 (0.85) |
