Author: Watanabe, K.; Watanabe, C.; Honma, T.; Tian, Y. S.; Kawashima, Y.; Kawashita, N.; Fukuzawa, K.; Takagi, T.
Title: Computational Ab Initio Interaction Analyses between Neutralizing Antibody and SARS-CoV-2 Variant Spike Proteins Using the Fragment Molecular Orbital Method Cord-id: yy00qnyw Document date: 2021_1_1
ID: yy00qnyw
Snippet: 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.
Document: 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.
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