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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...
Autores principales: | Teruel, Natália, Mailhot, Olivier, Najmanovich, Rafael J. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2021
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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 |
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