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Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity.

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Title: Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity.
Authors: Weng, Ying Li1, Naik, Shiv Rakesh1, Dingelstad, Nadia1, Lugo, Miguel R.1,2, Kalyaanamoorthy, Subha2, Ganesan, Aravindhan1 aravindhan.ganesan@uwaterloo.ca
Source: Scientific Reports. 4/1/2021, Vol. 11 Issue 1, p1-22. 22p.
Database: Academic Search Ultimate
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  Data: Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity.
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  Data: <searchLink fieldCode="JN" term="%22Scientific+Reports%22">Scientific Reports</searchLink>. 4/1/2021, Vol. 11 Issue 1, p1-22. 22p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=149594822
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        Value: 10.1038/s41598-021-86471-0
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              Text: 4/1/2021
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