標題: A simple way to compute protein dynamics without a mechanical model
作者: Shih, Chien-Hua
Huang, Shao-Wei
Yen, Shih-Chung
Lai, Yan-Long
Yu, Sung-Huan
Hwang, Jenn-Kang
生物資訊及系統生物研究所
Institude of Bioinformatics and Systems Biology
關鍵字: protein dynamics;thermal fluctuations;molecular dynamics;normal mode analysis
公開日期: 1-Jul-2007
摘要: We found that in proteins the average atomic fluctuation is linearly related to the square of the atomic distance from the center of mass of the protein. Using this simple relation, we can accurately compute the temperature factors of proteins of a wide range of sizes and folds, and the correlation of the fluctuations in proteins. This simple relation provides a direct link between protein dynamics and the static protein's geometrical shape and offers a simple way to compute protein dynamics without either long time trajectory integration or any matrix operations.
URI: http://dx.doi.org/10.1002/prot.21430
http://hdl.handle.net/11536/10586
ISSN: 0887-3585
DOI: 10.1002/prot.21430
期刊: PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
Volume: 68
Issue: 1
起始頁: 34
結束頁: 38
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