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A coarse-grained Langevin molecular dynamics approach to de novo protein structure prediction
http://hdl.handle.net/2237/20616
http://hdl.handle.net/2237/206162e2ca141-6866-469f-b81e-12a81aa32b65
名前 / ファイル | ライセンス | アクション |
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SasakiCetinSasaiBBRC2008.pdf (541.8 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2014-10-30 | |||||
タイトル | ||||||
タイトル | A coarse-grained Langevin molecular dynamics approach to de novo protein structure prediction | |||||
言語 | en | |||||
著者 |
Sasaki, Takeshi N.
× Sasaki, Takeshi N.× Cetin, Hikmet× Sasai, Masaki |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | This is the author's version of a work that was accepted for publication in Biochemical and Biophysical Research Communications. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms, may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Biochemical and Biophysical Research Communications. v.369, n.2, 2008, p.500–506, DOI: 10.1016/j.bbrc.2008.02.048 | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Protein structure prediction | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Langevin dynamics | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Fragment assembly | |||||
抄録 | ||||||
内容記述 | De novo prediction of protein structures, the prediction of structures from amino acid sequences which are not similar to those of hitherto resolved structures, has been one of the major challenges in molecular biophysics. In this paper, we develop a new method of de novo prediction, which combines the fragment assembly method and the simulation of physical folding process: structures which have consistently assembled fragments are dynamically searched by Langevin molecular dynamics of conformational change. The benchmarking test shows that the prediction is improved when the candidate structures are cross-checked by an empirically derived score function. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | Elsevier | |||||
言語 | ||||||
言語 | eng | |||||
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資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1016/j.bbrc.2008.02.048 | |||||
ISSN | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0006-291X | |||||
書誌情報 |
en : Biochemical and Biophysical Research Communications 巻 369, 号 2, p. 500-506, 発行日 2008-05 |
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著者版フラグ | ||||||
値 | author | |||||
URI | ||||||
識別子 | http://dx.doi.org/10.1016/j.bbrc.2008.02.048 | |||||
識別子タイプ | DOI | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/20616 | |||||
識別子タイプ | HDL |