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Modelling conformational state dynamics and its role on infection for SARS-CoV-2 Spike protein variants

The SARS-CoV-2 Spike protein needs to be in an open-state conformation to interact with ACE2 to initiate viral entry. We utilise coarse-grained normal mode analysis to model the dynamics of Spike and calculate transition probabilities between states for 17081 variants including experimentally observ...

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Detalles Bibliográficos
Autores principales: Teruel, Natália, Mailhot, Olivier, Najmanovich, Rafael J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8384204/
https://www.ncbi.nlm.nih.gov/pubmed/34351895
http://dx.doi.org/10.1371/journal.pcbi.1009286