書誌事項
- タイトル別名
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- Molecular Recognition of Intrinsically Disordered Proteins Studied by All-Atom Molecular Simulation
- ゼン ゲンシ コンピュータシミュレーション デ トキアカス,テンネン ヘンセイ タンパクシツ ノ ブンシ ニンシキ キコウ
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Coupled folding and binding exhibited by intrinsically disordered proteins (IDPs) was reproduced computationally by an enhanced conformational sampling method, multicanonical molecular dynamics. We treat biomolecules with an all-atom model immersed in an explicit solvent. A free-energy landscape, which is a road map for the biomolecular conformational changes, has been computed for two IDP-partner systems (NRSF–mSin3 and pKID–KIX). Native and non-native complex clusters distributed in the landscape, and free-energy barriers separated those clusters. Analyses have suggested that various encounter complexes can reach the native complex via multiple pathways with overcoming the free-energy barriers.<br>
収録刊行物
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- 生物物理
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生物物理 54 (2), 096-099, 2014
一般社団法人 日本生物物理学会
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詳細情報 詳細情報について
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- CRID
- 1390001206535561600
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- NII論文ID
- 130003391408
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- NII書誌ID
- AN00129693
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- ISSN
- 13474219
- 05824052
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- NDL書誌ID
- 025454152
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
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- 抄録ライセンスフラグ
- 使用不可