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Proteomics is the large-scale analysis of the proteins. The common method for identifying proteins and characterising their amino acid sequences is to digest the proteins into peptides, analyse the peptides using mass spectrometry and…

Computational Engineering, Finance, and Science · Computer Science 2019-02-05 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

In Proteomics, only the de novo peptide sequencing approach allows a partial amino acid sequence of a peptide to be found from a MS/MS spectrum. In this article a preliminary work is presented to discover a complete protein sequence from…

Quantitative Methods · Quantitative Biology 2008-12-18 Jean-Charles Boisson , Laetitia Jourdan , El-Ghazali Talbi , Christian Rolando

De novo peptide sequencing from mass spectrometry data is an important method for protein identification. Recently, various deep learning approaches were applied for de novo peptide sequencing and DeepNovoV2 is one of the represetative…

Quantitative Methods · Quantitative Biology 2022-03-18 Cheng Ge , Yi Lu , Jia Qu , Liangxu Xie , Feng Wang , Hong Zhang , Ren Kong , Shan Chang

The tandem mass spectrometry fragments a large number of molecules of the same peptide sequence into charged prefix and suffix subsequences, and then measures mass/charge ratios of these ions. The de novo peptide sequencing problem is to…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Ting Chen , Ming-Yang Kao , Matthew Tepel , John Rush , George M. Church

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the high-throughput analysis of protein composition in biological tissues. Many deep learning methods have been developed for \emph{de novo} peptide…

Quantitative Methods · Quantitative Biology 2024-11-01 Jingbo Zhou , Shaorong Chen , Jun Xia , Sizhe Liu , Tianze Ling , Wenjie Du , Yue Liu , Jianwei Yin , Stan Z. Li

De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise…

Machine Learning · Computer Science 2025-06-02 Zijie Qiu , Jiaqi Wei , Xiang Zhang , Sheng Xu , Kai Zou , Zhi Jin , Zhiqiang Gao , Nanqing Dong , Siqi Sun

De novo peptide sequencing aims to recover amino acid sequences of a peptide from tandem mass spectrometry (MS) data. Existing approaches for de novo analysis enumerate MS evidence for all amino acid classes during inference. It leads to…

Quantitative Methods · Quantitative Biology 2022-03-25 Yan Yang , Zakir Hossain , Khandaker Asif , Liyuan Pan , Shafin Rahman , Eric Stone

As in many other scientific domains, we face a fundamental problem when using machine learning to identify proteins from mass spectrometry data: large ground truth datasets mapping inputs to correct outputs are extremely difficult to…

Mass spectrometry provides a high-throughput approach to identify proteins in biological samples. A key step in the analysis of mass spectrometry data is to identify the peptide sequence that, most probably, gave rise to each observed…

Applications · Statistics 2013-01-14 Qunhua Li , Jimmy K. Eng , Matthew Stephens

Nanobodies are small antibody fragments derived from camelids that selectively bind to antigens. These proteins have marked physicochemical properties that support advanced therapeutics, including treatments for SARS-CoV-2. To realize their…

Quantitative Methods · Quantitative Biology 2021-10-18 Chris McKennan , Zhe Sang , Yi Shi

Peptide identification in mass spectrometry-based proteomics is crucial for understanding protein function and dynamics. Traditional database search methods, though widely used, rely on heuristic scoring functions and statistical…

Quantitative Methods · Quantitative Biology 2024-05-13 Yonghan Yu , Ming Li

Machine learning has markedly advanced de novo peptide sequencing (DNS) for mass spectrometry-based proteomics. DNS tools offer a reliable way to identify peptides without relying on reference databases, extending proteomic analysis and…

The ultimate target of proteomics identification is to identify and quantify the protein in the organism. Mass spectrometry (MS) based on label-free protein quantitation has mainly focused on analysis of peptide spectral counts and ion peak…

Quantitative Methods · Quantitative Biology 2013-12-05 Biao He , Baochang Zhang , Yan Fu

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…

Tandem mass spectrometry has played a pivotal role in advancing proteomics, enabling the analysis of protein composition in biological samples. Despite the development of various deep learning methods for identifying amino acid sequences…

Quantitative Methods · Quantitative Biology 2024-03-18 Jun Xia , Shaorong Chen , Jingbo Zhou , Tianze Ling , Wenjie Du , Sizhe Liu , Stan Z. Li

Motivation: Assigning statistical significance accurately has become increasingly important as meta data of many types, often assembled in hierarchies, are constructed and combined for further biological analyses. Statistical inaccuracy of…

Quantitative Methods · Quantitative Biology 2014-07-25 Gelio Alves , Yi-Kuo Yu

Mass spectrometry provides a high-throughput way to identify proteins in biological samples. In a typical experiment, proteins in a sample are first broken into their constituent peptides. The resulting mixture of peptides is then subjected…

Applications · Statistics 2010-11-10 Qunhua Li , Michael J. MacCoss , Matthew Stephens

Metaproteomics are becoming widely used in microbiome research for gaining insights into the functional state of the microbial community. Current metaproteomics studies are generally based on high-throughput tandem mass spectrometry (MS/MS)…

Quantitative Methods · Quantitative Biology 2020-09-24 Xuan Guo , Shichao Feng

Propensity Score Matching (PSM) is a causal inference technique that is used as a substitution for experimental methods when it is not possible to implement them due to logistical and ethical concerns. By using a logistic classifier to…

Applications · Statistics 2025-01-15 Elizabeth Mohney , Alexey Shvets

The ability to characterize proteins at sequence-level resolution is vital to biological research. Currently, the leading method for protein sequencing is by liquid chromatography mass spectrometry (LC-MS) whereas proteins are reduced to…

Genomics · Quantitative Biology 2025-07-11 René L. Warren
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