Table 6.

MM/PBSA free energy of the compounds that interacts with HPV E7 oncoprotein calculated from the MD simulations.

S.No	Compound Name	Binding Energy	van der Waal Energy	Polar Solvation Energy	Non-polar solvation energy	Electrostatic Energy
1	ZINC49069570	−217.957 ± 38.974	−253.404 ± 43.658	80.221 ± 20.942	−22.147 ± 3.625	−22.626 ± 11.676
2	ZINC49115270	−205.563 ± 58.151	−222.687 ± 58.069	55.121 ± 20.946	−20.453 ± 5.127	−17.544 ± 15.166
3	ZINC14436185	−97.011 ± 85.684	−115.286 ± 99.415	25.380 ± 29.866	−11.392 ± 9.924	3.287 11.349
4	ZINC14642643	−69.444 ± 105.707	−88.395 ± 119.783	34.281 ± 42.254	−7.869 ± 10.545	−14.381 ± 16.221
5	NCI-714028	−171.948 ± 88.498	−191.038 ± 94.425	51.503 ± 30.856	−18.032 ± 8.928	−7.640 ± 12.230
6	EGCG	−195.265 ± 70.833	−220.817 ± 74.303	61.720 ± 24.781	−20.441 ± 6.856	−15.788 ± 14.959