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J-GLOBAL ID：201402252386235350   Reference number：14A1181505

The Use of Many-Body Expansions and Geometry Optimizations in Fragment-Based Methods

フラグメントベースの方法における多体展開の使用と形状の最適化
Author (4)：
FEDOROV Dmitri G.

About FEDOROV Dmitri G.

(National Inst. of Advanced Industrial Sci. and Technol. (AIST), Tsukuba, JPN)

About National Inst. of Advanced Industrial Sci. and Technol. (AIST), Tsukuba, JPN

, 
ASADA Naoya

About ASADA Naoya

(Kyoto Univ., Kyoto, JPN)

About Kyoto Univ., Kyoto, JPN

, 
NAKANISHI Isao

About NAKANISHI Isao

(Kinki Univ., Osaka, JPN)

About Kinki Univ., Osaka, JPN

, 
KITAURA Kazuo

About KITAURA Kazuo

(Kobe Univ., Kobe, JPN)

About Kobe Univ., Kobe, JPN


Material：
Accounts of Chemical Research  (Acc Chem Res)

About Accounts of Chemical Research


Volume： 47  Issue： 9  Page： 2846-2856  Publication year： Sep. 2014 
JST Material Number： B0966A  ISSN： 0001-4842  CODEN： ACHRE4  Document type： Article
Article type： 文献レビュー  Country of issue： United States (USA)  Language： ENGLISH (EN)
Thesaurus term：
Thesaurus term/Semi thesaurus term
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.
*molecular orbital method

About molecular orbital method

, 
*many-body problem

About many-body problem

, 
*intramolecular dynamics

About intramolecular dynamics

, 
structural optimization

About structural optimization

, 
shape optimization

About shape optimization

, 
protein kinase

About protein kinase

, 
intermolecular interaction

About intermolecular interaction


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
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.
*Fragment Molecular Orbital method

About Fragment Molecular Orbital method

, 
Protein-ligand interaction

About Protein-ligand interaction


JST classification (1)：
JST classification
Category name(code) classified by JST.
Macromolecules and polymer molecule molecules 
(BH09020D)

About Macromolecules and polymer molecule molecules

Terms in the title (3)：
Terms in the title
Keywords automatically extracted from the title.
フラグメント

About フラグメント

, 
展開

About 展開

, 
最適化

About 最適化


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