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Electrostatic Interactions Explain the Higher Binding Affinity of the CR3022 Antibody for SARS-CoV-2 than the 4A8 Antibody

[Image: see text] A structural understanding of the mechanism by which antibodies bind SARS-CoV-2 at the atomic level is highly desirable as it can tell the development of more effective antibodies to treat Covid-19. Here, we use steered molecular dynamics (SMD) and coarse-grained simulations to est...

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Bibliografiske detaljer
Udgivet i:J Phys Chem B
Main Authors: Nguyen, Hung, Lan, Pham Dang, Nissley, Daniel A., O’Brien, Edward P., Li, Mai Suan
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2021
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8276604/
https://ncbi.nlm.nih.gov/pubmed/34228472
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.1c03639
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