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. 2018 Nov 16;13(11):e0207234. doi: 10.1371/journal.pone.0207234

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