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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 38, 2023 - Issue 1
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Research Paper

Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings

Jie Donga Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, P. R. ChinaORCID Iconhttps://orcid.org/0000-0002-3324-9000View further author information
ORCID Icon,
Mihayl Varbanovb Université de Lorraine, CNRS, Nancy, France;c Laboratoire de Virologie, CHRU de Nancy Brabois, Vandoeuvre-lès-Nancy, FranceView further author information
,
Stéphanie Philippotb Université de Lorraine, CNRS, Nancy, FranceView further author information
,
Fanny Vrekenb Université de Lorraine, CNRS, Nancy, FranceView further author information
,
Wen-bin Zenga Xiangya School of Pharmaceutical Sciences, Central South University, Changsha, P. R. ChinaView further author information
&
Vincent Blayd Department of Microbiology and Environmental Toxicology, University of California at Santa Cruz, Santa Cruz, CA, USACorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-9602-2375View further author information
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Pages 24-35 | Received 05 Aug 2022, Accepted 29 Sep 2022, Published online: 28 Oct 2022

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A.V. Sulimov, I.S. Ilin, A.S. Tashchilova, O.A. Kondakova, D.C. Kutov & V.B. Sulimov. (2024) Docking and other computing tools in drug design against SARS-CoV-2. SAR and QSAR in Environmental Research 35:2, pages 91-136.
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Articles from other publishers (3)

Navid Kaboudi, Nadine Krüger & Maryam Hamzeh‐Mivehroud. (2023) Development of novel ligands against SARS‐CoV‐2 M pro enzyme: an in silico and in vitro Study . Molecular Informatics 42:11.
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Mihayl Varbanov, Stéphanie Philippot & Miguel A. González-Cardenete. (2023) Anticoronavirus Evaluation of Antimicrobial Diterpenoids: Application of New Ferruginol Analogues. Viruses 15:6, pages 1342.
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Jiang Hong Cai, Xuan Zhe Zhu, Peng Yue Guo, Peter Rose, Xiao Tong Liu, Xia Liu & Yi Zhun Zhu. (2023) Recent updates in click and computational chemistry for drug discovery and development. Frontiers in Chemistry 11.
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