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Molecular Dynamic Simulation Search for Possible Amphiphilic Drug Discovery for Covid-19

To determine whether quaternary ammonium (k21) binds to Severe Acute Respiratory Syndrome–Coronavirus 2 (SARS-CoV-2) spike protein via computational molecular docking simulations, the crystal structure of the SARS-CoV-2 spike receptor-binding domain complexed with ACE-2 (PDB ID: 6LZG) was downloaded...

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Detalles Bibliográficos
Autores principales:	Daood, Umer, Gopinath, Divya, Pichika, Malikarjuna Rao, Mak, Kit-Kay, Seow, Liang Lin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8069104/ https://www.ncbi.nlm.nih.gov/pubmed/33921378 http://dx.doi.org/10.3390/molecules26082214

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