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MMGBSA analysis of rhodionidin and cocsoline with 6lu7
| Molecule | ∆G Binding (kcal/mol) |
Coulomb (kcal/mol) |
Covalent (kcal/mol) |
H-bonding (kcal/mol) |
Bind packing (kcal/mol) |
Lipo (kcal/mol) |
Solv_GB (kcal/mol) |
vdW (kcal/mol) |
|---|---|---|---|---|---|---|---|---|
| Rhodionidin | −80.40 | −41.28 | 7.53 | −3.91 | −3.05 | −16.78 | 39.04 | −61.95 |
| Cocsoline | −75.07 | −18.38 | 3.82 | −1.49 | −1.92 | −24.17 | 29.18 | −62.10 |
