Art
J-GLOBAL ID：202002290599662827   Reference number：20A0673135

Investigation of conformational structures of gemcitabine and its 2′,2′-difluoro 2′-deoxy derivatives: A computational study

ゲムシタビンとその2′,2′-ジフルオロ2′-デオキシ誘導体の立体配座構造の研究 計算研究【JST・京大機械翻訳】
Author (4)：
Malekzadeh Maryam

About Malekzadeh Maryam

(Young Researchers and Elite Club, Parand Branch, Islamic Azad University, Tehran, Iran)

About Young Researchers and Elite Club, Parand Branch, Islamic Azad University, Tehran, Iran

, 
Heshmati Emarn

About Heshmati Emarn

(Department of Biology, Faculty of Sciences, University of Zanjan, Zanjan, Iran)

About Department of Biology, Faculty of Sciences, University of Zanjan, Zanjan, Iran

, 
Badalkhani-Khamseh Farideh

About Badalkhani-Khamseh Farideh

(Department of Physical Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran, Iran)

About Department of Physical Chemistry, Faculty of Sciences, Tarbiat Modares University, Tehran, Iran

, 
Ali Nojoumi Seyed

About Ali Nojoumi Seyed

(Microbiology Research Center, Pasteur Institute of Iran, Tehran, Iran)

About Microbiology Research Center, Pasteur Institute of Iran, Tehran, Iran


Material：
Computational & Theoretical Chemistry  (Computational and Theoretical Chemistry)

About Computational & Theoretical Chemistry


Volume： 1177  Page： Null  Publication year： 2020 
JST Material Number： W2300A  ISSN： 2210-271X  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)
Abstract/Point：
Abstract/Point
Japanese summary of the article(about several hundred characters).
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This study investigates the el...
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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.
analogical material

About analogical material

, 
DNA

About DNA

, 
electronic structure

About electronic structure

, 
*steric conformation

About steric conformation

, 
pseudorotation

About pseudorotation

, 
HOMO

About HOMO

, 
LUMO

About LUMO

, 
dipole moment

About dipole moment

, 
electric charge

About electric charge

, 
fluorine

About fluorine

, 
nucleoside

About nucleoside

, 
halogeno sugar

About halogeno sugar

, 
riboside

About riboside


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.
幾何学的パラメータ

About 幾何学的パラメータ

, 
置換効果

About 置換効果

, 
水素原子

About 水素原子

, 【Automatic Indexing@JST】
Author keywords (5)：
Gemcitabine

About Gemcitabine

, 
Nucleosides

About Nucleosides

, 
DFT

About DFT

, 
NBO

About NBO

, 
HOMO & LUMO

About HOMO & LUMO

JST classification (1)：
JST classification
Category name(code) classified by JST.
Nucleosides,nucleotides 
(CF10060K)

About Nucleosides,nucleotides

Substance index (1)：
Substance index
Chemical Substance indexed to the Article.
Gemcitabine

About Gemcitabine

Terms in the title (5)：
Terms in the title
Keywords automatically extracted from the title.
ゲムシタビン

About ゲムシタビン

, 
誘導体

About 誘導体

, 
立体配座

About 立体配座

, 
研究

About 研究

, 
計算

About 計算


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