标题: | 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 生物资讯及系统生物研究所 Institude of Bioinformatics and Systems Biology |
关键字: | protein dynamics;thermal fluctuations;molecular dynamics;normal mode analysis |
公开日期: | 1-七月-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 |
起始页: | 34 |
结束页: | 38 |
显示于类别: | Articles |
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