Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus

The COVID-19 pandemic poses a severe threat to human health with an unprecedented social and economic disruption. Spike (S) glycoprotein of the SARS-CoV-2 virus is pivotal in understanding the virus anatomy, since it initiates the first contact with the ACE2 receptor in the human cell. We report res...

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Detalles Bibliográficos
Autores principales: Ching, Wai-Yim, Adhikari, Puja, Jawad, Bahaa, Podgornik, Rudolf
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7893244/
https://www.ncbi.nlm.nih.gov/pubmed/33623641
http://dx.doi.org/10.1016/j.csbj.2021.02.004

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7893244/
https://www.ncbi.nlm.nih.gov/pubmed/33623641
http://dx.doi.org/10.1016/j.csbj.2021.02.004

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