Computational redesign of Beta-27 Fab with substantially better predicted binding affinity to the SARS-CoV-2 Omicron variant than human ACE2 receptor
Abstract During the COVID-19 pandemic, SARS-CoV-2 has caused large numbers of morbidity and mortality, and the Omicron variant (B.1.1.529) was an important variant of concern. To enter human cells, the receptor-binding domain (RBD) of the S1 subunit of SARS-CoV-2 (SARS-CoV-2-RBD) binds to the peptid...
Main Authors: | Wantanee Treewattanawong, Thassanai Sitthiyotha, Surasak Chunsrivirot |
---|---|
Format: | Article |
Language: | English |
Published: |
Nature Portfolio
2023-09-01
|
Series: | Scientific Reports |
Online Access: | https://doi.org/10.1038/s41598-023-42442-1 |
Similar Items
-
Computational redesign of Fab CC12.3 with substantially better predicted binding affinity to SARS-CoV-2 than human ACE2 receptor
by: Wantanee Treewattanawong, et al.
Published: (2021-11-01) -
Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics.
by: Thassanai Sitthiyotha, et al.
Published: (2023-01-01) -
Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics
by: Thassanai Sitthiyotha, et al.
Published: (2023-01-01) -
Computational design of SARS-CoV-2 peptide binders with better predicted binding affinities than human ACE2 receptor
by: Thassanai Sitthiyotha, et al.
Published: (2021-08-01) -
Molecular dynamics provides insight into how N251A and N251Y mutations in the active site of Bacillus licheniformis RN-01 levansucrase disrupt production of long-chain levan.
by: Thassanai Sitthiyotha, et al.
Published: (2018-01-01)