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Molecular docking, dynamics, and quantum chemical study of vanillylacetone and beta-hydroxy ketone derivatives against Mpro of SARS-CoV-2.

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Title: Molecular docking, dynamics, and quantum chemical study of vanillylacetone and beta-hydroxy ketone derivatives against Mpro of SARS-CoV-2.
Authors: Amin, Saniyah1, Muhammad, Shabbir2 mshabbir@kku.edu.sa, Iqbal, Javed1 avedkhattak79@gmail.com, Ullah, Sami2, Al-Sehemi, Abdullah G.2, Algarni, H.3, Alarfaji, Saleh S.2, Ayub, Khurshid4
Source: South African Journal of Chemistry. 2022, Vol. 76, p79-90. 12p.
Database: Academic Search Ultimate
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  Data: Molecular docking, dynamics, and quantum chemical study of vanillylacetone and beta-hydroxy ketone derivatives against M<superscript>pro</superscript> of SARS-CoV-2.
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  Data: <searchLink fieldCode="JN" term="%22South+African+Journal+of+Chemistry%22">South African Journal of Chemistry</searchLink>. 2022, Vol. 76, p79-90. 12p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=162250921
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        Value: 10.17159/0379-4350/2022/v76a12
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        Text: English
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        PageCount: 12
        StartPage: 79
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      – TitleFull: Molecular docking, dynamics, and quantum chemical study of vanillylacetone and beta-hydroxy ketone derivatives against Mpro of SARS-CoV-2.
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            NameFull: Amin, Saniyah
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            NameFull: Muhammad, Shabbir
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              Text: 2022
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              Value: 76
          Titles:
            – TitleFull: South African Journal of Chemistry
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