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Prediction of Protein-compound Binding Energies from Known Activity Data: Docking-score-based Method and its Applications
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About Fukunishi Yoshifumi
About Molecular Profiling Research Center for Drug Discovery (molprof), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan
About Yamashita Yasunobu
About Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan
About Mashimo Tadaaki
About Technology Research Association for Next-Generation Natural Products Chemistry, 2-3-26, Aomi, Koto-ku, Tokyo, 135-0064, Japan
About Mashimo Tadaaki
About IMSBIO Co., Ltd., Owl Tower, 4-21-1, Higashi-Ikebukuro, Toshima-ku, Tokyo, 170-0013, Japan
About Nakamura Haruki
About Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita, Osaka, 565-0871, Japan
Material：
About Molecular Informatics
Volume： 37 Issue： 6-7 Page： e1700120 Publication year： 2018
JST Material Number： W2686A ISSN： 1868-1743 Document type： Article
Article type： 原著論文 Country of issue： United States (USA) Language： ENGLISH (EN)
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About free energy
About binding energy
About interaction
About forecast
About docking
About receptor
About Proteins
About Quantitative Structure-Activity Relationship
About prediction model
About matrix metalloproteinase
About binding free energy
About docking simulation
About kinase
About model
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Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
About スコア
About 阻害剤
About Binding free energy
About ChEMBL
About Docking score
About Protein-compound docking
Category name(code) classified by JST.
About Basic research of enzyme preparations and enzyme inhibitor preparations
About Molecular and genetic information processing
Keywords automatically extracted from the title.
About 活性
About 蛋白質
About 結合エネルギー
About 予測
About ドッキング
About スコア
About 応用
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