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Potential Broad Spectrum Inhibitors of the Coronavirus 3CLpro: A Virtual Screening and Structure-Based Drug Design Study.

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第一作者： Michael,Berry

第一单位： South African Medical Research Council Bioinformatics Capacity Development Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville 7535, South Africa. michael@sanbi.ac.za.;Molecular Biology and Virology Laboratory, Department of Medical BioSciences, Faculty of Natural Sciences, University of the Western Cape, Western Cape, Bellville 7535, South Africa. michael@sanbi.ac.za.

作者： Michael,Berry ^[1] ; Burtram C,Fielding ^[2] ; Junaid,Gamieldien ^[3]

作者单位： South African Medical Research Council Bioinformatics Capacity Development Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville 7535, South Africa. michael@sanbi.ac.za.;Molecular Biology and Virology Laboratory, Department of Medical BioSciences, Faculty of Natural Sciences, University of the Western Cape, Western Cape, Bellville 7535, South Africa. michael@sanbi.ac.za. ^[1] Molecular Biology and Virology Laboratory, Department of Medical BioSciences, Faculty of Natural Sciences, University of the Western Cape, Western Cape, Bellville 7535, South Africa. bfielding@uwc.ac.za. ^[2] South African Medical Research Council Bioinformatics Capacity Development Unit, South African National Bioinformatics Institute, University of the Western Cape, Bellville 7535, South Africa. junaid@sanbi.ac.za. ^[3]

关键词 3CLpro human coronaviruses molecular docking molecular dynamics structure-based drug design virtual screening