A simple way to compute protein dynamics without a mechanical model.

@article{citeulike:1239688, abstract = {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. Proteins 2007. (c) 2007 Wiley-Liss, Inc.}, address = {Institute of Bioinformatics, National Chiao Tung University, HsinChu 30050, Taiwan, Republic of China.}, author = {Shih, Chien-Hua H. and Huang, Shao-Wei W. and Yen, Shih-Chung C. and Lai, Yan-Long L. and Yu, Sung-Huan H. and Hwang, Jenn-Kang K. }, citeulike-article-id = {1239688}, doi = {http://dx.doi.org/10.1002/prot.21430}, issn = {1097-0134}, journal = {Proteins}, keywords = {dynamics, protein}, month = {April}, posted-at = {2007-05-29 07:51:58}, priority = {2}, title = {A simple way to compute protein dynamics without a mechanical model.}, url = {http://dx.doi.org/10.1002/prot.21430}, year = {2007} }

TY - JOUR ID - citeulike:1239688 L3 - citeulike-article-id:1239688 TI - A simple way to compute protein dynamics without a mechanical model. JF - Proteins AD - Institute of Bioinformatics, National Chiao Tung University, HsinChu 30050, Taiwan, Republic of China. SN - 1097-0134 N2 - 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. Proteins 2007. (c) 2007 Wiley-Liss, Inc. KW - dynamics KW - protein AU - Shih, Chien-Hua AU - Huang, Shao-Wei AU - Yen, Shih-Chung AU - Lai, Yan-Long AU - Yu, Sung-Huan AU - Hwang, Jenn-Kang PY - 2007/04/13/ UR - http://dx.doi.org/10.1002/prot.21430 ER -