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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

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