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The calculated MM-GBSA binding energies of venetoclax and saquayamycin F with the Bcl-2 protein over 50 and 200 ns MD simulations.
| NPAtlas Code | MM-GBSA Binding Energy (kcal/mol) | |
|---|---|---|
| 50 ns | 200 ns | |
| Venetoclax | –46.0 | −50.6 |
| Saquayamycin F (NPA002200) | –48.1 | –53.9 |
