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November 28, 2021 15:14
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SARS-CoV-2 B.1.1.529 HADDOCK docking results with the CC12.1 antibody
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| Metric | 6XC2 RBD w/ CC12.1 | Predicted B.1.1.529 RBD w/ CC12.1 | % Difference | |
|---|---|---|---|---|
| Van der Waals energy | -106.9 | -90.7 | -15% | |
| Electrostatic energy | -342.6 | -284.9 | -17% | |
| Desolvation energy | -37.5 | -28.8 | -23% | |
| Restraints violation energy | 143.2 | 152.6 | 7% | |
| HADDOCK score | -198.6 | -163.3 | -18% | |
| Buried Surface Area | 2778.5 | 2584.3 | -7% |
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