標題: Prediction of NMR order parameters in proteins using weighted protein contact-number model
作者: Huang, Shao-Wei
Shih, Chien-Hua
Lin, Chih-Peng
Hwang, Jenn-Kang
生物資訊及系統生物研究所
Institude of Bioinformatics and Systems Biology
關鍵字: NMR order parameter;weighted protein contact number;protein dynamics;prediction
公開日期: 1-Oct-2008
摘要: In the NMR experiment, the protein backbone motion can be described by the N-H order parameters. Though protein dynamics is determined by a complex network of atomic interactions, we show that the order parameter of residues can be determined using a very simple method, the weighted protein contact number model. We computed for each C alpha atom the number of neighboring C alpha atoms weighted by the inverse distance squared between them. We show that the weighted contact number of each residue is directly related to its order parameter. Despite the simplicity of this model, it performs better than the other method. Since we can compute the order parameters directly from the topological properties (such as protein contact number) of protein structures, our study underscores a very direct link between protein topological structure and its dynamics.
URI: http://dx.doi.org/10.1007/s00214-008-0465-0
http://hdl.handle.net/11536/8318
ISSN: 1432-881X
DOI: 10.1007/s00214-008-0465-0
期刊: THEORETICAL CHEMISTRY ACCOUNTS
Volume: 121
Issue: 3-4
起始頁: 197
結束頁: 200
Appears in Collections:Articles


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