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Identifying vaccine escape sites via statistical comparisons of short-term molecular dynamics

The identification of viral mutations that confer escape from antibodies is crucial for understanding the interplay between immunity and viral evolution. We describe a molecular dynamics (MD)-based approach that goes beyond contact mapping, scales well to a desktop computer with a modern graphics pr...

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Detalles Bibliográficos
Autores principales: Rajendran, Madhusudan, Ferran, Maureen C., Babbitt, Gregory A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8978532/
https://www.ncbi.nlm.nih.gov/pubmed/35403093
http://dx.doi.org/10.1016/j.bpr.2022.100056