Art
J-GLOBAL ID：201902247568663470   Reference number：19A1884753

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory

MDシミュレーションと3D-RISM-KH理論による2-ヒドロキシプロピル-β-シクロデキストリンのコレステロールへの結合モードの予測【JST・京大機械翻訳】
Author (6)：
Hayashino Yuji

About Hayashino Yuji

(Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan)

About Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan

, 
Sugita Masatake

About Sugita Masatake

(Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan)

About Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan

, 
Arima Hidetoshi

About Arima Hidetoshi

(Department of Physical Pharmaceutics, Graduate School of Pharmaceutical Sciences, Kumamoto University)

About Department of Physical Pharmaceutics, Graduate School of Pharmaceutical Sciences, Kumamoto University

, 
Irie Tetsumi

About Irie Tetsumi

(Department of Clinical Chemistry and Informatics, Graduate School of Pharmaceutical Sciences, Kumamoto University)

About Department of Clinical Chemistry and Informatics, Graduate School of Pharmaceutical Sciences, Kumamoto University

, 
Kikuchi Takeshi

About Kikuchi Takeshi

(Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan)

About Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan

, 
Hirata Fumio

About Hirata Fumio

(Toyota Physical and Chemical Research Institute, Aichi, Japan)

About Toyota Physical and Chemical Research Institute, Aichi, Japan


Material：
Journal of Physical Chemistry B  (Journal of Physical Chemistry B. Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter)

About Journal of Physical Chemistry B


Volume： 122  Issue： 21  Page： 5716-5725  Publication year： 2018 
JST Material Number： W0921A  ISSN： 1520-6106  CODEN： JPCBFK  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)
Abstract/Point：
Abstract/Point
Japanese summary of the article(about several hundred characters).
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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.
lysosome

About lysosome

, 
*three dimension

About three dimension

, 
dimer

About dimer

, 
*cyclodextrin

About cyclodextrin

, 
affinity

About affinity

, 
glycolipid

About glycolipid

, 
cholesterol ester

About cholesterol ester

, 
complex(compound)

About complex(compound)

, 
computer simulation

About computer simulation

, 
complex(substance)

About complex(substance)

, 
sterol

About sterol

, 
alicyclic alcohol

About alicyclic alcohol


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.
作用部位

About 作用部位

, 
分子動力学シミュレーション

About 分子動力学シミュレーション

, 
結合親和性

About 結合親和性

, 
*結合モード

About 結合モード

, 【Automatic Indexing@JST】
JST classification (2)：
JST classification
Category name(code) classified by JST.
Molecular compounds 
(CE02000C)

About Molecular compounds

,  Physicochemical characteristics of drugs 
(GV01060M)

About Physicochemical characteristics of drugs

Substance index (2)：
Substance index
Chemical Substance indexed to the Article.
Cholesterol

About Cholesterol

, 
2-Hydroxypropyl-β-cyclodextrin

About 2-Hydroxypropyl-β-cyclodextrin

Terms in the title (8)：
Terms in the title
Keywords automatically extracted from the title.
MDシミュレーション

About MDシミュレーション

, 
3D

About 3D

, 
KH

About KH

, 
理論

About 理論

, 
2-ヒドロキシプロピル-β-シクロデキストリン

About 2-ヒドロキシプロピル-β-シクロデキストリン

, 
コレステロール

About コレステロール

, 
結合モード

About 結合モード

, 
予測

About 予測


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