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.
Decomposition of the estimated MMGBSA binding energy for the binding of docetaxel and neohesperidin with SARS CoV-2 RdRP.
| Docetaxel | Neohespridin | |
|---|---|---|
| Van der Waal energy | −158.953 | −169.743 |
| Electrostattic energy | −19.672 | −111.149 |
| Polar solvation energy | 130.971 | 238.858 |
| SASA energy | 19.581 | −21.655 |
| Binding energy | −67.273 | −63.669 |
