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MM-GBSA binding free energy estimation (all the values are described in kcal/mol).
| Energy component | LIVA-Insulin | DFGAS-SGLT1 |
|---|---|---|
| van der Waals | -66.15 | -50.27 |
| Electrostatic | -52.45 | -45.12 |
| Polar solvation | 35.69 | 39.41 |
| Nonpolar solvation | -10.47 | -6.87 |
| Net gas phase | -118.6 | -95.39 |
| Net solvation | 25.22 | 32.54 |
| Net complex energy | -93.38 | -62.85 |
