Table 5. Average van der Waals, electrostatic interaction energies and binding free energies between inhibitors and ADA.
dE-vdW (kcal/mol) | dE-ele (kcal/mol) | dG-bind (kcal/mol) | |
---|---|---|---|
ADA-FR0 | -38.83 | -43.46 | -29.74 |
ADA-FR2 | -35.90 | -45.46 | -28.47 |
ADA-PRH | -26.45 | -28.10 | -18.28 |