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相关论文: AdaNovo: Adaptive \emph{De Novo} Peptide Sequencin…

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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…

定量方法 · 定量生物学 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 from mass spectrometry (MS) data is a critical task in proteomics research. Traditional de novo algorithms have encountered a bottleneck in accuracy due to the inherent complexity of proteomics data. While deep…

定量方法 · 定量生物学 2023-12-20 Zhi Jin , Sheng Xu , Xiang Zhang , Tianze Ling , Nanqing Dong , Wanli Ouyang , Zhiqiang Gao , Cheng Chang , Siqi Sun

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…

计算工程、金融与科学 · 计算机科学 2019-02-05 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

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…

机器学习 · 计算机科学 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…

定量方法 · 定量生物学 2022-03-25 Yan Yang , Zakir Hossain , Khandaker Asif , Liyuan Pan , Shafin Rahman , Eric Stone

Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from…

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…

计算工程、金融与科学 · 计算机科学 2007-05-23 Ting Chen , Ming-Yang Kao , Matthew Tepel , John Rush , George M. Church

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…

定量方法 · 定量生物学 2022-03-18 Cheng Ge , Yi Lu , Jia Qu , Liangxu Xie , Feng Wang , Hong Zhang , Ren Kong , Shan Chang

Tandem Mass Spectrometry is a cornerstone technique for identifying unknown small molecules in fields such as metabolomics, natural product discovery and environmental analysis. However, certain aspects, such as the probabilistic…

人工智能 · 计算机科学 2026-01-19 Laura Mismetti , Marvin Alberts , Andreas Krause , Mara Graziani

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

计算工程、金融与科学 · 计算机科学 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

De novo peptide sequencing is a fundamental computational technique for ascertaining amino acid sequences of peptides directly from tandem mass spectrometry data, eliminating the need for reference databases. Cutting-edge models usually…

计算工程、金融与科学 · 计算机科学 2025-05-26 Ye Du , Chen Yang , Nanxi Yu , Wanyu Lin , Qian Zhao , Shujun Wang

De novo peptide sequencing algorithms have been widely used in proteomics to analyse tandem mass spectra (MS/MS) and assign them to peptides, but quality-control methods to evaluate the confidence of de novo peptide sequencing are lagging…

神经与进化计算 · 计算机科学 2019-08-22 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

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…

定量方法 · 定量生物学 2021-10-18 Chris McKennan , Zhe Sang , Yi Shi

Peptide sequencing-the process of identifying amino acid sequences from mass spectrometry data-is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have proven highly effective for this task, outperforming traditional…

生物大分子 · 定量生物学 2025-06-17 Xiang Zhang , Jiaqi Wei , Zijie Qiu , Sheng Xu , Nanqing Dong , Zhiqiang Gao , Siqi Sun

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the…

定量方法 · 定量生物学 2026-02-25 Shaorong Chen , Jingbo Zhou , Jun Xia

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…

定量方法 · 定量生物学 2008-12-18 Jean-Charles Boisson , Laetitia Jourdan , El-Ghazali Talbi , Christian Rolando

Tandem mass spectrometry (MS/MS) stands as the predominant high-throughput technique for comprehensively analyzing protein content within biological samples. This methodology is a cornerstone driving the advancement of proteomics. In recent…

定量方法 · 定量生物学 2024-06-27 Shiva Ebrahimi , Xuan Guo

Peptide de novo sequencing is a method used to reconstruct amino acid sequences from tandem mass spectrometry data without relying on existing protein sequence databases. Traditional deep learning approaches, such as Casanovo, mainly…

机器学习 · 计算机科学 2025-07-16 Chi-en Amy Tai , Alexander Wong

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…

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…

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