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

Pub. Date : 2021 Apr 12

PMID : 33921378






1 Functional Relationships(s)
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1 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 from RCSB PD and prepared using Schrodinger 2019-4. quaternary ammonium angiotensin converting enzyme 2 Homo sapiens