SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

SARS-CoV-2 has intricate mechanisms for initiating infection, immune evasion/suppression, and replication, which depend on the structure and dynamics of its constituent proteins. Many protein structures have been solved, but far less is known about their relevant conformational changes. To address t...

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Detalhes bibliográficos
Publicado no:bioRxiv
Main Authors: Zimmerman, Maxwell I., Porter, Justin R., Ward, Michael D., Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L., Kuhn, Catherine E., Borowsky, Jonathan H., Wiewiora, Rafal P., Hurley, Matthew F. D., Harbison, Aoife M, Fogarty, Carl A, Coffland, Joseph E., Fadda, Elisa, Voelz, Vincent A., Chodera, John D., Bowman, Gregory R.
Formato: Artigo
Idioma:Inglês
Publicado em: Cold Spring Harbor Laboratory 2020
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7337393/
https://ncbi.nlm.nih.gov/pubmed/32637963
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1101/2020.06.27.175430
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