Art

J-GLOBAL ID：202002279519332392   Reference number：20A0427958

In Silico Design and Analysis of a Kinase-Focused Combinatorial Library Considering Diversity and Quality

多様性と品質を考慮したキナーゼ集束コンビナトリアルライブラリーのin silico設計と解析【JST・京大機械翻訳】

Author (12)： Yang Yan (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Zhang Yanmin (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Hua Yi (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Chen Xingye (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Fan Yuanrong (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Wang Yuchen (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Liang Li (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Deng Chenglong (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Lu Tao (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Lu Tao (State Key Laboratory of Natural Medicines, China Pharmaceutical University, China) ,  Chen Yadong (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China) ,  Liu Haichun (Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, China)
Material： Journal of Chemical Information and Modeling  (J Chem Inf Model)
Volume： 60  Issue： 1  Page： 92-107  Publication year： 2020 
JST Material Number： A0294A  ISSN： 1549-9596  CODEN： JCISD8  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： A structurally diverse, high-q...

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Thesaurus term： *quality ,  fingerprint ,  hinge ,  hydrogen bond ,  optimization ,  *focusing ,  database ,  Workflow ,  quality index ,  Protein Kinase Inhibitors ,  high quality ,  *in silico ,  *compound library ,  *kinase ,  modification

JST classification (2)： Molecular and genetic information processing  (JE15040B) ,  Structure-activity relationship of drugs  (GV01050B)

Terms in the title (6)： 多様性 ,  キナーゼ ,  集束 ,  コンビナトリアルライブラリー ,  設計 ,  解析