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 (MM-PBSA) calculations for 2OQ5-POM and 6LZG-POM.
| system | ΔEvan der Waal (kJ/mol) | ΔEElectrostatic (kJ/mol) | ΔEPolar solvation (kJ/mol) | ΔESASA (kJ/mol) | ΔEBinding (kJ/mol) |
|---|---|---|---|---|---|
| 2OQ5-POM | −123.19 ± 1.15 | −22.17 ± 0.65 | 57.94 ± 1.36 | −16.23 ± 0.17 | −103.65 ± 0.16 |
| 6LZG-POM | −203.15 ± 4.56 | −42.85 ± 2.08 | 120.38 ± 8.65 | −26.32 ± 1.15 | −151.94 ± 2.19 |
