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Identification of novel compounds against three targets of SARS CoV-2 coronavirus by combined virtual screening and supervised machine learning

Coronavirus disease 2019 (COVID-19) is a major threat worldwide due to its fast spreading. As yet, there are no established drugs available. Speeding up drug discovery is urgently required. We applied a workflow of combined in silico methods (virtual drug screening, molecular docking and supervised...

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Publié dans:Comput Biol Med
Auteurs principaux: Kadioglu, Onat, Saeed, Mohamed, Greten, Henry Johannes, Efferth, Thomas
Format: Artigo
Langue:Inglês
Publié: Elsevier Ltd. 2021
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Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC8008812/
https://ncbi.nlm.nih.gov/pubmed/33845270
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.compbiomed.2021.104359
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