The three dimensional crystal structure of the selected three target proteins viz. Mpro (PDB ID: 5R82), SARS-CoV-2 Spike protein (PDB ID: 6VYB), and host entry receptor ACE-2 (PDB ID: 1R42) (data of homology modelled structure of RdRp was shown as supplementary) were retrieved from the RCSB Protein Data Bank (http://www.rcsb.org/pdb/home/home.do). To minimize energy, the predicted structures were refined by removing the water molecules and co-crystal ligands of the target proteins. Finally, it was used for molecular docking simulation (Mir et al., 2016).

Note: The content above has been extracted from a research article, so it may not display correctly.



Q&A
Please log in to submit your questions online.
Your question will be posted on the Bio-101 website. We will send your questions to the authors of this protocol and Bio-protocol community members who are experienced with this method. you will be informed using the email address associated with your Bio-protocol account.



We use cookies on this site to enhance your user experience. By using our website, you are agreeing to allow the storage of cookies on your computer.