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Enhanced sampling protocol to elucidate fusion peptide opening of SARS-CoV-2 spike protein
Large-scale conformational transitions in the spike protein S2 domain are required during host-cell infection of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus. Although conventional molecular dynamics simulations have been extensively used to study therapeutic targets of SAR...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Biophysical Society
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8169235/ https://www.ncbi.nlm.nih.gov/pubmed/34087207 http://dx.doi.org/10.1016/j.bpj.2021.05.022 |