Table 4.

Binding energy means ± standard deviations of complexes after molecular dynamics simulation.

Molecule	Binding Energy	Van der Walls Energy	Eletrostatic Energy	Polar Solvation Energy	SASA energy
V	170.138 ± 36.191	−100.202 ± 42.094	229.738 ± 58.107	52.777 ± 36.463	−12.175 ± 5.082
VI	−55.681 ± 31.008	−116.972 ± 50.833	−42.593 ± 23.187	117.094 ± 49.241	−13.210 ± 5.794
VIII	−27.810 ± 31.951	−45.612 ± 42.410	−8.649 ± 10.312	32.182 ± 37.527	−5.731 ± 5.063
IX	−43.432 ± 15.626	−91.013 ± 30.072	−26.228 ± 18.276	85.304 ± 31.955	−11.495 ± 3.493
XI	−35.777 ± 33.400	−67.041 ± 42.265	−14.178 ± 12.767	53.686 ± 33.573	−8.243 ± 5.133