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Wavelet transformed Gaussian network model

文献类型：期刊论文

作者Zhan, Meng1; Li, Suhong1,2; Li, Fan1,2
刊名JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
出版日期2014-09-01
卷号13期号:6
关键词Protein modeling Gaussian network model wavelet transform B-factors correlation coefficient
英文摘要Accurate prediction of the Debye-Waller temperature factor of proteins is of significant importance in the study of protein dynamics and function. This work explores the utility of wavelets for improving the performance of Gaussian network model (GNM). We propose two wavelet transformed Gaussian network models (wtGNM), namely a scale-one wtGNM and a scale-two wtGNM. Based on a set of 113 protein structures, it shows that the mean correlation with experimental results for the scale-one wtGNM is 0.714 and that for the scale-two wtGNM is 0.738. In contrast, the mean correlation for the original GNM is 0.594. Therefore, the wtGNM is a potential algorithm for improving the GNM prediction of protein B-factors.
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]MOLECULAR-DYNAMICS SIMULATIONS ; PROTEIN DYNAMICS ; FLUCTUATION DYNAMICS ; TRYPSIN-INHIBITOR ; SINGLE-PARAMETER ; COMMUNICATION ; LYSOZYME ; MOTIONS
收录类别SCI
语种英语
WOS记录号WOS:000343992800008
公开日期2015-07-14
源URL[http://ir.wipm.ac.cn/handle/112942/1332]  
专题武汉物理与数学研究所_理论与交叉研究部
作者单位1.Chinese Acad Sci, Wuhan Ctr Magnet Resonance, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式
GB/T 7714		 Zhan, Meng,Li, Suhong,Li, Fan. Wavelet transformed Gaussian network model[J]. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,2014,13(6).
APA Zhan, Meng,Li, Suhong,&Li, Fan.(2014).Wavelet transformed Gaussian network model.JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY,13(6).
MLA Zhan, Meng,et al."Wavelet transformed Gaussian network model".JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 13.6(2014).

入库方式： OAI收割

来源：武汉物理与数学研究所

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