中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 计算技术研究所
  3. 中国科学院计算技术研究所
  4. 中国科学院计算技术研究所期刊论文
  5. 英文
TagDict: Prediction of Theoretical Spectra of Peptides Based on A Tag Dictionary

文献类型：期刊论文

作者Wang, Yaojun1,2; Zhang, Jingwei2; Bu, Dongbo2; Sun, Shiwei2
刊名CURRENT BIOINFORMATICS
出版日期2018
卷号13期号:5页码:444-449
关键词Mass spectrometry theoretical spectrum prediction database search peptide identification TagDict MassAnalyzer
ISSN号1574-8936
DOI10.2174/1574893613666171212160431
英文摘要Background: Tandem mass spectrometry (MS/MS) peptide identification is an important research topic in molecular biology; the comparison between an experimental spectrum and a theoretically predicted spectrum is a crucial step for many identification methods. Consequently, the accurate prediction of the theoretical spectrum from a peptide sequence can potentially improve the performance of peptide identification and is a significant problem for mass spectrometry-based proteomics. Objective: We studied the mechanism of peptide fragmentation in the mass spectrometer and proposed a strategy for theoretical spectrum simulation. We have proposed a new theoretical spectrum prediction model called TagDict. Method: TagDict built a "tag dictionary" from existing spectrum library and used for theoretical spectrum prediction. This dictionary collected a large number of records that each record comprised of peptide segment and the middle adjacent position fragment ion's intensity. Results: Full theoretical spectrum can derive from the adjacent ion intensity ratios get from query "tag dictionary". Compared with MassAnalyzer, the theoretical spectrum of TagDict simulated is more similar to the real spectrum. Conclusion: The new approach, comparing with another existing spectrum prediction tool MassAnalyzer, not only simplifies the process of theoretical spectrum simulation but also improves the prediction accuracy of the spectrum library searching by using this approach to extend spectrum library.
资助项目National Natural Science Foundation of China[31671369] ; National Natural Science Foundation of China[31270834] ; National Natural Science Foundation of China[11175224] ; National Natural Science Foundation of China[11121403] ; National Natural Science Foundation of China[61272318]
WOS研究方向Biochemistry & Molecular Biology ; Mathematical & Computational Biology
语种英语
WOS记录号WOS:000440847000003
出版者BENTHAM SCIENCE PUBL LTD
源URL[http://119.78.100.204/handle/2XEOYT63/5074]  
专题中国科学院计算技术研究所期刊论文_英文
通讯作者Sun, Shiwei
作者单位1.Peking Univ, Guanghua Sch Management, Beijing, Peoples R China
2.Chinese Acad Sci, Inst Comp Technol, Key Lab Intelligent Informat Proc, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Wang, Yaojun,Zhang, Jingwei,Bu, Dongbo,et al. TagDict: Prediction of Theoretical Spectra of Peptides Based on A Tag Dictionary[J]. CURRENT BIOINFORMATICS,2018,13(5):444-449.
APA Wang, Yaojun,Zhang, Jingwei,Bu, Dongbo,&Sun, Shiwei.(2018).TagDict: Prediction of Theoretical Spectra of Peptides Based on A Tag Dictionary.CURRENT BIOINFORMATICS,13(5),444-449.
MLA Wang, Yaojun,et al."TagDict: Prediction of Theoretical Spectra of Peptides Based on A Tag Dictionary".CURRENT BIOINFORMATICS 13.5(2018):444-449.

入库方式： OAI收割

来源：计算技术研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。