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Modeling of the thermal properties of SARS-CoV-2 S-protein

We calculate the thermal and conformational states of the spike glycoprotein (S-protein) of SARS-CoV-2 at seven temperatures ranging from 3°C to 95°C by all-atom molecular dynamics (MD) µs-scale simulations with the objectives to understand the structural variations on the temperatures and to determ...

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Detalles Bibliográficos
Autores principales:	Niu, Ziyuan, Hasegawa, Karin, Deng, Yuefan, Zhang, Ziji, Rafailovich, Miriam, Simon, Marcia, Zhang, Peng
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9550926/ https://www.ncbi.nlm.nih.gov/pubmed/36237574 http://dx.doi.org/10.3389/fmolb.2022.953064

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