Table 2. Binding energy calculation of Lupenone with 2ALA and non-bonded interaction energies from MMGBSA trajectories.

Energies (kcal/mol)*	2ALA
ΔG bind	-33.61193639 ± 6.634629545
ΔG bind Lipo	-12.19185399 ± 2.183521628
ΔG bind vdW	-26.420278 ± 3.55494239
ΔG bind Coulomb	-5.686199742 ± 2.973326843
ΔG bind H bond	-0.334466965 ± 0.259853024
ΔG bind SolvGB	11.13070167 ± 1.279062797
ΔG bind Covalent	-0.109839358 ± 0.496576419