Density functional theory computation of the binding free energies between various mutations of SARS-CoV-2 RBD and human ACE2: molecular level roots of the contagiousness

The receptor-binding domain (RBD) of SARS-CoV-2 attaches to the human ACE2 to initiate binding of SARS-CoV-2 to human cell and leads to the infection process afterwards. In this study, various mutations of SARS-CoV-2 spike RBD and human ACE2 complexes are investigated via density functional theory (...

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Detalles Bibliográficos
Autores principales: Yamacli, Serhan, Avci, Mutlu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9365710/
https://www.ncbi.nlm.nih.gov/pubmed/35971531
http://dx.doi.org/10.1016/j.heliyon.2022.e10128

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9365710/
https://www.ncbi.nlm.nih.gov/pubmed/35971531
http://dx.doi.org/10.1016/j.heliyon.2022.e10128

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