SAR and QSAR in Environmental Research, Volume 32, Issue 12 (2021)

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SAR and QSAR in Environmental Research, Volume 32, Issue 12 (2021)

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Research Article

Article
Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay
N. Mehyar, A. Mashhour, I. Islam, H.A. Alhadrami, A.M. Tolah, B. Alghanem, S. Alkhaldi, B.A. Somaie, M. Al Ghobain, Y. Alobaida, A.S. Alaskar & M. Boudjelal
Pages: 963-983
Published online: 25 Nov 2021
AbstractforDiscovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay | Full Text | References | PDF (3.2 MB) | EPUB | Supplemental
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Open Access
Article
Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches
D. Luo, J.B. Tong, X.C. Xiao, S. Bian, X. Zhang, J. Wang & H.Y. Xu
Pages: 985-1011
Published online: 30 Nov 2021
AbstractforTheoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches | Full Text | References | PDF (8.5 MB) | EPUB | Supplemental
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Article
CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors
S. Ahmadi, S. Lotfi, S. Afshari, P. Kumar & E. Ghasemi
Pages: 1013-1031
Published online: 08 Dec 2021
AbstractforCORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors | Full Text | References | PDF (948.7 KB) | EPUB | Supplemental
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