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November 28, 2021 15:30
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SARS-CoV-2 B.1.1.529 HADDOCK docking results with the CC12.3 antibody
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| 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% |
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