Uncovering cryptic pockets in the SARS-CoV-2 spike glycoprotein

The COVID-19 pandemic has prompted a rapid response in vaccine and drug development. Herein, we modeled a complete membrane-embedded SARS-CoV-2 spike glycoprotein and used molecular dynamics simulations with benzene probes designed to enhance discovery of cryptic pockets. This approach recapitulated...

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Detalles Bibliográficos
Autores principales: Zuzic, Lorena, Samsudin, Firdaus, Shivgan, Aishwary T., Raghuvamsi, Palur V., Marzinek, Jan K., Boags, Alister, Pedebos, Conrado, Tulsian, Nikhil K., Warwicker, Jim, MacAry, Paul, Crispin, Max, Khalid, Syma, Anand, Ganesh S., Bond, Peter J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9164293/
https://www.ncbi.nlm.nih.gov/pubmed/35660160
http://dx.doi.org/10.1016/j.str.2022.05.006

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9164293/
https://www.ncbi.nlm.nih.gov/pubmed/35660160
http://dx.doi.org/10.1016/j.str.2022.05.006

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