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@colbyford
Created July 6, 2022 15:18
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Comparison of CC12.1 antibody binding affinity of SARS-CoV-2 Omicron subvariants BA.2.75 and BA.5.
Antibody Antibody PDB Variant Variant ID RBD PDB HADDOCK score Van der Waals energy Electrostatic energy Desolvation energy Restraints violation energy Buried Surface Area
CC12.1 6XC2 Alpha B.1.1.7 6XC2 -198.6 -106.9 -342.6 -37.5 143.2 2778.5
CC12.1 6XC2 Beta B.1.351 7VX1 -171.9 -93.9 -298.1 -33.1 147.3 2698.8
CC12.1 6XC2 Delta B.1.617.2 7V7O -178.8 -100.2 -290.8 -33 125.3 2682.3
CC12.1 6XC2 Omicron B.1.1.529 7T9J -118.5 -76.4 -169.6 -20.8 125.8 2121.4
CC12.1 6XC2 Omicron (Subvariant) BA.2.75 AlphaFold2 -118.8 -72.3 -265.7 -8.9 155.7 2265.6
CC12.1 6XC2 Omicron (Subvariant) BA.5 AlphaFold2 -121.4 -78 -198.3 -18.6 147.3 2326.3
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