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.
MMPBSA binding energy in kcal/mol for protein-ligand complex.
| 6lu7 Complex with: | ΔEVDW (van der Waal's energy) | ΔEelec (Coulombic energy) | ΔGPB (Poisson-Boltzmann Polar solvation energy) | ΔESASA (Non-Polar solvation energy) | ΔGMMPBSA (Protein-Ligand Binding energy) |
|---|---|---|---|---|---|
| Hinokiflavone | −33.29 ± 7.61 | −11.37 ± 8.17 | 33.03 ± 8.25 | −3.53 ± 0.55 | −15.15 ± 5.94 |
| Myricetin | −16.34 ± 7.42 | −22.05 ± 19.53 | 29.74 ± 16.37 | −1.95 ± 0.73 | −10.60 ± 7.65 |
