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Delta G binding free energy.
| Energy | Average | Energy | Average |
|---|---|---|---|
| ΔVDWAALS | -351.58 | ΔG gas | -6078.65 |
| ΔEEL | -5727.07 | ΔG solv | 5886.66 |
| ΔEGB | 5938.44 | ΔTOTAL | -191.98 |
| ΔESURF | -51.77 |
*ΔVDWAALS= van der Waals energy; ΔEEL= electrostatic energy; ΔEGB= polar solvation energy; ΔESURF= nonpolar solvation energy; ΔG gas= Molecular mechanics term energy; ΔG solv= solvation energy; ΔTOTAL= ΔGMMGBSA= binding free energy.
