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Binding free energy for VER-155008, FDI-6 and the best ligand 7d with FoxM1 and Hsp70 for 100 ns.
| Ligand | Van der Waals Energy (ΔEvdW) | Electrostatic Energy (ΔEelec) | Polar Solvation Energy (ΔGpolar) | SASA Energy (ΔGnonpolar) | Binding Energy (ΔGbind) |
|---|---|---|---|---|---|
| VER-155008-Hsp70 | −91.28 | −42.28 | 118.73 | −13.50 | −28.33 |
| FDI-6-FoxM1 | −96.63 | −70.06 | 112.07 | −11.18 | −65.81 |
| 7d-FoxM1 | −105.11 | −48.18 | 89.49 | −10.44 | −74.24 |
| 7d-Hsp70 | −89.02 | −12.42 | 84.75 | −3.33 | −20.02 |
