Computational Ab Initio Interaction Analyses between Neutralizing Antibody and SARS-CoV-2 Variant Spike Proteins Using the Fragment Molecular Orbital Method
Bulletin of the Chemical Society of Japan
; 94(6):1794-1798, 2021.
Article
in English
| Web of Science | ID: covidwho-1388870
ABSTRACT
The interaction energies between the receptor-binding domain of SARS-CoV-2 spike proteins and neutralizing antibody CC12.1 Fab were calculated using the fragment molecular orbital method. South African and Brazilian variants showed weaker interactions than the wild-type. Mutations, K417N/T and E484K, were considered to be responsible for escape from the antibody.
Full text:
Available
Collection:
Databases of international organizations
Database:
Web of Science
Topics:
Variants
Language:
English
Journal:
Bulletin of the Chemical Society of Japan
Year:
2021
Document Type:
Article
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