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Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings.
Dong, Jie; Varbanov, Mihayl; Philippot, Stéphanie; Vreken, Fanny; Zeng, Wen-Bin; Blay, Vincent.
Affiliation
  • Dong J; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, P. R. China.
  • Varbanov M; Université de Lorraine, CNRS, Nancy, France.
  • Philippot S; Laboratoire de Virologie, CHRU de Nancy Brabois, Vandoeuvre-lès-Nancy, France.
  • Vreken F; Université de Lorraine, CNRS, Nancy, France.
  • Zeng WB; Université de Lorraine, CNRS, Nancy, France.
  • Blay V; Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, P. R. China.
J Enzyme Inhib Med Chem ; 38(1): 24-35, 2023 Dec.
Article in En | MEDLINE | ID: mdl-36305272
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Coronavirus 3C Proteases / COVID-19 Limits: Humans Language: En Journal: J Enzyme Inhib Med Chem Journal subject: BIOQUIMICA / QUIMICA Year: 2023 Type: Article
Fulltext
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PubMed Links
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Coronavirus 3C Proteases / COVID-19 Limits: Humans Language: En Journal: J Enzyme Inhib Med Chem Journal subject: BIOQUIMICA / QUIMICA Year: 2023 Type: Article