Tchebichef image moment approach to the prediction of protein secondary structures based on circular dichroism |
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| Authors: | Sha Sha Li Bao Qiong Li Jin Jin Liu Shao Hua Lu Hong Lin Zhai |
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| Affiliation: | College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, P.R. China |
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| Abstract: | Circular dichroism (CD) spectroscopy is a widely used technique for the evaluation of protein secondary structures that has a significant impact for the understanding of molecular biology. However, the quantitative analysis of protein secondary structures based on CD spectra is still a hard work due to the serious overlap of the spectra corresponding to different structural motifs. Here, Tchebichef image moment (TM) approach is introduced for the first time, which can effectively extract the chemical features in CD spectra for the quantitative analysis of protein secondary structures. The proposed approach was applied to analyze reference set and the obtained results were evaluated by the strict statistical parameters such as correlation coefficient, cross‐validation correlation coefficient and root mean squared error. Compared with several specialized prediction methods, TM approach provided satisfactory results, especially for turns and unordered structures. Our study indicates that TM approach can be regarded as a feasible tool for the analysis of the secondary structures of proteins based on CD spectra. An available TMs package is provided and can be used directly for secondary structures prediction. |
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| Keywords: | chemometrics circular dichroism spectroscopy protein secondary structures quantitative analysis Tchebichef image moments |
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