HIGHLIGHTS
SUMMARY
Before its replacement by the Omicron variant in late 2021, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Delta variant constituted about two third of the sequenced viruses across the globe. By validating the comprehensive set of alchemical binding free_energy (BFE) calculations against both previous experimental and computational works on these mutation sets, the authors revealed the complex interplay between individual mutations at distance and quantitatively estimate the level of evasion for mAbs. The buried areas, hydrogen_bonds, and salt bridges were computed using VMD. Dotted line inBesides Glu35, residue Lys31 on the . . .
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