Accelerating the identification of subtype selective inhibitors via Three-Dimensional Biologically Relevant Spectrum (BRS-3D): The monoamine oxidase subtypes as a case study.

Wang, Dong; Chen, Nianhang; Taranto, Alex Gutterres; Jin, Yuting; Wen, Congcong; Kong, De-Xin

Wang, Dong; Chen, Nianhang; Taranto, Alex Gutterres; Jin, Yuting; Wen, Congcong; Kong, De-Xin.

Affiliation

Wang D; State Key Laboratory of Agricultural Microbiology, Huazhong Agricultural University, Wuhan 430070, China; Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
Chen N; Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
Taranto AG; Laboratory of Bioinformatics and Drug Design, Federal University of São João del-Rei (UFSJ), Brazil.
Jin Y; Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
Wen C; Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China.
Kong DX; State Key Laboratory of Agricultural Microbiology, Huazhong Agricultural University, Wuhan 430070, China; Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070, China. Electronic address: dxkong@mail.hzau.edu.cn.

Bioorg Chem ; 106: 104503, 2021 01.

Article de En | MEDLINE | ID: mdl-33280834

Sujet(s)
Mots clés

Attention mechanism; BRS-3D; Deep neural network; MAO-B; Selective inhibitors

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Texte intégral: 1 Collection: 01-internacional Base de données: MEDLINE Sujet principal: Machine à vecteur de support / Monoamine oxidase / Inhibiteurs de la monoamine oxydase Type d'étude: Diagnostic_studies Limites: Humans Langue: En Journal: Bioorg Chem Année: 2021 Type de document: Article Pays d'affiliation: Chine Pays de publication: États-Unis d'Amérique

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