A coarse-grained Langevin molecular dynamics approach to de novo protein structure prediction
抄録
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.
収録刊行物
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- Biochemical and Biophysical Research Communications
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Biochemical and Biophysical Research Communications 369 (2), 500-506, 2008-05
Elsevier
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詳細情報 詳細情報について
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- CRID
- 1050564288756837504
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- NII論文ID
- 120005475992
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- HANDLE
- 2237/20616
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- ISSN
- 0006291X
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- 本文言語コード
- en
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- 資料種別
- journal article
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- データソース種別
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- IRDB
- CiNii Articles