Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors.
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| Title: | Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors. |
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| Authors: | Han D; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn., Liu F; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Peng X; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Wang Y; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Shi Z; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Xue Y; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Yang H; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Wang M; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Lu J; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Liu T; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China., Cui S; School of Forensic, Henan Medical University, Xinxiang, 453003, Henan, China., Xu Y; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn. |
| Source: | Molecular diversity [Mol Divers] 2026 Jul 11. Date of Electronic Publication: 2026 Jul 11. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| FullText | Text: Availability: 0 |
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| Header | DbId: mdl DbLabel: MEDLINE Ultimate An: 42435189 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Han+D%22">Han D</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China. hd@xxmu.edu.cn.<br /><searchLink fieldCode="AU" term="%22Liu+F%22">Liu F</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Peng+X%22">Peng X</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Wang+Y%22">Wang Y</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Shi+Z%22">Shi Z</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Xue+Y%22">Xue Y</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Yang+H%22">Yang H</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Wang+M%22">Wang M</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Lu+J%22">Lu J</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Liu+T%22">Liu T</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Cui+S%22">Cui S</searchLink>; School of Forensic, Henan Medical University, Xinxiang, 453003, Henan, China.<br /><searchLink fieldCode="AU" term="%22Xu+Y%22">Xu Y</searchLink>; School of Medical Engineering, Henan Medical University, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn.; Henan International Joint Laboratory of Neural Information Analysis and Drug Intelligent Design, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn.; Xinxiang Key Laboratory of Biomedical Information Research, Xinxiang, 453003, Henan, China. yxu@xxmu.edu.cn. – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%229516534%22">Molecular diversity</searchLink> [Mol Divers] 2026 Jul 11. <i>Date of Electronic Publication: </i>2026 Jul 11. – Name: TypePub Label: Publication Type Group: TypPub Data: Journal Article – Name: TitleSource Label: Journal Info Group: Src Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22ESCOM+Science+Publishers%22">ESCOM Science Publishers </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9516534 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-501X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2213811991%22">13811991 </searchLink><i>NLM ISO Abbreviation: </i>Mol Divers <i>Subsets: </i>MEDLINE |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=mdl&AN=42435189 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s11030-026-11633-z Languages: – Code: eng Text: English Titles: – TitleFull: Integrated deep learning and multi-scale modeling for the discovery of pan-genotypic HCV NS5B polymerase inhibitors. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Han D – PersonEntity: Name: NameFull: Liu F – PersonEntity: Name: NameFull: Peng X – PersonEntity: Name: NameFull: Wang Y – PersonEntity: Name: NameFull: Shi Z – PersonEntity: Name: NameFull: Xue Y – PersonEntity: Name: NameFull: Yang H – PersonEntity: Name: NameFull: Wang M – PersonEntity: Name: NameFull: Lu J – PersonEntity: Name: NameFull: Liu T – PersonEntity: Name: NameFull: Cui S – PersonEntity: Name: NameFull: Xu Y IsPartOfRelationships: – BibEntity: Dates: – D: 11 M: 07 Text: 2026 Jul 11 Type: published Y: 2026 Identifiers: – Type: issn-electronic Value: 1573-501X Titles: – TitleFull: Molecular diversity Type: main |
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