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. |
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| 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 |
| ISSN: | 03794350 |
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| DOI: | 10.17159/0379-4350/2022/v76a12 |
