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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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Bibliografske podrobnosti
izdano v:Molecules
Main Authors: Daood, Umer, Gopinath, Divya, Pichika, Malikarjuna Rao, Mak, Kit-Kay, Seow, Liang Lin
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2021
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC8069104/
https://ncbi.nlm.nih.gov/pubmed/33921378
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26082214
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