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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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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