Created
November 28, 2021 15:30
-
-
Save colbyford/1857d9c212761dd623113da9b0cbb1f0 to your computer and use it in GitHub Desktop.
SARS-CoV-2 B.1.1.529 HADDOCK docking results with the CC12.3 antibody
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Metric | 6XC7 RBD w/ CC12.3 | Predicted B.1.1.529 RBD w/ CC12.3 | % Difference | |
|---|---|---|---|---|
| Van der Waals energy | -86.1 | -93.1 | 8% | |
| Electrostatic energy | -248.1 | -194.1 | -22% | |
| Desolvation energy | -41.7 | -37.9 | -9% | |
| Restraints violation energy | 159.1 | 104.7 | -34% | |
| HADDOCK score | -161.5 | -159.4 | -1% | |
| Buried Surface Area | 2489.8 | 2416.7 | -3% |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment