Table 7.

MM-GBSA binding energies (kcal/mol) with ligand-receptor conformational changes not accounted for in energy terms.

S.No	Compound ID	MMGBSA dG Bind(NS)	MMGBSA dG Bind(NS) Coulomb	MMGBSA dG Bind(NS) Hbond	MMGBSA dG Bind(NS) Lipo	MMGBSA dG Bind(NS) vdW
1	CHEMBL2229121	−68.68	−17.04	−2.72	−19.38	−56.56
2	ZINC000009464451	−40.32	32.75	−2.02	−15.11	−44.01
3	SPECS AK-91811684151	−57.87	−16.9	−1.74	−15.04	−48.76
4	NCI-ID = 715319	−29.84	15.83	−0.53	−8.71	−24.64