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Detection of Binding Sites on SARS-CoV-2 Spike Protein Receptor-Binding Domain by Molecular Dynamics Simulations in Mixed Solvents
The novel SARS-CoV-2 uses ACE2 (Angiotensin-Converting Enzyme 2) receptor as an entry point. Insights on S protein receptor-binding domain (RBD) interaction with ACE2 receptor and drug repurposing has accelerated drug discovery for the novel SARS-CoV-2 infection. Finding small molecule binding sites...
| Formato: | Online Artículo Texto |
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| Lenguaje: | English |
| Publicado: |
IEEE
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8791430/ https://www.ncbi.nlm.nih.gov/pubmed/33914685 http://dx.doi.org/10.1109/TCBB.2021.3076259 |