Table 4.

Binding free energy calculation of the best identified small molecule compounds that interacts with HPV E7 oncoprotein.

S.No	Compound Name	ΔGbind	ΔGcovalent	ΔGcouloumb	ΔGH-bond	ΔGsolvGB	ΔGvdW
1	ZINC49069570	−92.427	−52.967	2.499	−3.310	23.607	−30.445
2	ZINC49115270	−91.104	−33.380	7.018	−1.727	20.266	−43.985
3	ZINC14436185	−85.354	−46.089	1.531	−1.781	21.232	−29.216
4	ZINC14642643	−82.581	−45.708	5.217	−2.983	25.145	−34.372
5	NCI-714028	−81.522	−48.767	2.201	−2.294	27.057	−29.242
6	EGCG	−84.723	−31.857	2.974	−1.468	26.428	−43.425