文書・図像類

分子シミュレーションによる高活性リガンド探索法の開発

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分子シミュレーションによる高活性リガンド探索法の開発

Material type
文書・図像類
Author
仲西, 功ほか
Publisher
近畿大学
Publication date
2012-01-01
Material Format
Digital
Capacity, size, etc.
-
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Note (General)：

機関番号:34419; 研究種目：基盤研究（C）; 研究期間：2010～2012; 課題番号：22590110; 研究分野：医歯薬学; 科研費の分科・細目：薬学・創薬化学Research Paperapplication/pdf

Related materials as well as pre- and post-revision versions

https://kaken.nii.ac.jp/d/r/10362576.ja.html

https://kaken.nii.ac.jp/d/r/30132723.ja.html

Detailed bibliographic record

Summary, etc.：

研究成果の概要（和文）： Free energy perturbation (FEP)法・Thermodynamic integration (TI)法を用い、既知リガンドの極微小な構造変化による高活性リガンドを探索する手法の検討を行なった。種々の条件検討を行ないながら本法をタンパク質－リガンド複合...

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Digital

Material Type
文書・図像類
Title
分子シミュレーションによる高活性リガンド探索法の開発
Author/Editor
仲西, 功
北浦, 和夫
Author Heading
仲西, 功
北浦, 和夫
Publication, Distribution, etc.
近畿大学
Publication Date
2012-01-01
Publication Date (W3CDTF)
2012-01-01
Alternative Title
Development of a method to discover high affinity ligands using molecular dynamics simulation
Periodical title
科学研究費助成事業研究成果報告書 (2012. )
Pages
1-5