Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Binding free-energy (ΔGbind) of TNF-alpha-zerumbone and TNF-alpha-α-humulene docked complex calculated using g_mmpbsa.
| Energy parameters (kJ/mol) | Zerumbone (kJ/mol) | α-humulene (kJ/mol) |
|---|---|---|
| van der Waal energy | −66.06 ± 43.07 | −53.12 ± 33.12 |
| Electrostatic energy | −11.80 ± 16.70 | −8.12 ± 11.45 |
| Polar solvation energy | 31.46 ± 34.61 | 24.13 ± 27.32 |
| SASA energy | −5.70 ± 3.80 | −3.12 ± 2.21 |
| Binding energy | −52.10 ± 38.67 | −40.23 ± 34.12 |
