title: A simple way to compute protein dynamics without a mechanical model.
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.
authors: Institute of Bioinformatics, National Chiao Tung University, HsinChu 30050, Taiwan, Republic of China.
authors: Chien-Hua
authors: CH
authors: Shih
authors: Shao-Wei
authors: SW
authors: Huang
authors: Shih-Chung
authors: SC
authors: Yen
authors: Yan-Long
authors: YL
authors: Lai
authors: Sung-Huan
authors: SH
authors: Yu
authors: Jenn-Kang
authors: JK
authors: Hwang
mesh_terms: D000465:Algorithms; D007700:Kinetics; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D013329:Structure-Activity Relationship; D013696:Temperature
chemical_list: D011506:Proteins