Accommodating receptor flexibility and free energy calculation to reduce false positive binders in the discovery of natural products blockers of SARS-COV-2 spike RBD-ACE2 interface

The emergence of severe acute respiratory syndrome coronavirus 2 (SARS-COV-2), which causes coronavirus disease-19 (COVID-19) has caused more than 2 million deaths around the globe. The high transmissibility rate of the disease is related to the strong interaction between the virus spike receptor-bi...

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Detalles Bibliográficos
Autores principales: Ogedjo, Marcelina, Onoka, Isaac, Sahini, Mtabazi, Shadrack, Daniel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Short Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8148615/
https://www.ncbi.nlm.nih.gov/pubmed/34056140
http://dx.doi.org/10.1016/j.bbrep.2021.101024

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8148615/
https://www.ncbi.nlm.nih.gov/pubmed/34056140
http://dx.doi.org/10.1016/j.bbrep.2021.101024

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