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Statistical models for proteomics data often estimate protein fold changes between two samples, A and B, as the average peptide intensity from sample A divided by the average peptide intensity from sample B. Such average intensity ratios…

Applications · Statistics 2015-07-27 Jonathon O'Brien , Harsha Gunawardena , Xian Chen , Joseph Ibrahim , Bahjat Qaqish

Next-generation sequencing technologies now constitute a method of choice to measure gene expression. Data to analyze are read counts, commonly modeled using Negative Binomial distributions. A relevant issue associated with this…

Methodology · Statistics 2014-11-10 Elisabetta Bonafede , Franck Picard , Stéphane Robin , Cinzia Viroli

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

Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with…

Quantitative Methods · Quantitative Biology 2018-08-03 Piotr Klukowski , Adam Gonczarek

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…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Samaneh Azari , Bing Xue , Mengjie Zhang , Lifeng Peng

A fundamental goal of research in molecular biology is to understand protein structure. Protein crystallography is currently the most successful method for determining the three-dimensional (3D) conformation of a protein, yet it remains…

Artificial Intelligence · Computer Science 2014-11-17 L. Leherte , J. Glasgow , K. Baxter , E. Steeg , S. Fortier

Introduction : Mass spectrometry approaches are very attractive to detect protein panels in a sensitive and high speed way. MS can be coupled to many proteomic separation techniques. However, controlling technological variability on these…

Genomics · Quantitative Biology 2012-02-23 Pierre Grangeat , Pascal Szacherski , Laurent Gerfault , Jean-François Giovannelli

Proteins are vital biological molecules found in every living organism, and their function is determined by what shape they fold into. Peptides are essentially subsets of proteins, and therefore ideal as model systems for protein folding.…

Biological Physics · Physics 2025-09-11 Åke Andersson , Vitali Zhaunerchyk

Identifying pure components in mixtures is a common yet challenging problem. The associated unmixing process requires the pure components, also known as endmembers, to be sufficiently spectrally distinct. Even with this requirement met,…

Data Analysis, Statistics and Probability · Physics 2023-11-16 Oliver Hoidn , Aashwin Mishra , Apurva Mehta

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…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

Multiple technologies that measure expression levels of protein mixtures in the human body offer a potential for detection and understanding the disease. The recent increase of these technologies prompts researchers to evaluate the…

Machine Learning · Computer Science 2026-05-12 Michal Valko , Richard Pelikan , Miloš Hauskrecht

Protein footprinting is a new methodology that is based on probing, typically with the use of mass spectrometry, of reactivity of different aminoacid residues to a modifying reagent. Data thus obtained allow one to make inferences about…

Molecular Networks · Quantitative Biology 2010-12-21 Pasquale Moio , Arman Kulyyassov , Damien Vertut , Luc Camoin , Erlan Ramankulov , Marc Lipinski , Vasily Ogryzko

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

Hyperspectral images often have hundreds of spectral bands of different wavelengths captured by aircraft or satellites that record land coverage. Identifying detailed classes of pixels becomes feasible due to the enhancement in spectral and…

Computer Vision and Pattern Recognition · Computer Science 2022-04-21 Raymond H. Chan , Ruoning Li

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

Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search Algorithm [OMSSA], specificity is calculated by…

Quantitative Methods · Quantitative Biology 2007-05-23 Lewis Y. Geer , Sanford P. Markey , Jeffrey A. Kowalak , Lukas Wagner , Ming Xu , Dawn M. Maynard , Xiaoyu Yang , Wenyao Shi , Stephen H. Bryant

Nested sampling is a Bayesian sampling technique developed to explore probability distributions lo- calised in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence…

Biomolecules · Quantitative Biology 2015-03-17 Nikolas S. Burkoff , Csilla Varnai , Stephen A. Wells , David L. Wild

Mass spectrometry-based metabolomic analysis depends upon the identification of spectral peaks by their mass and retention time. Statistical analysis that follows the identification currently relies on one main peak of each compound.…

Quantitative Methods · Quantitative Biology 2014-03-20 Tommi Suvitaival , Simon Rogers , Samuel Kaski

Mining large-scale high-throughput tandem mass spectrometry data sets is a very important problem in mass spectrometry based protein identification. One of the fundamental problems in large scale mining of spectra is to design appropriate…

Quantitative Methods · Quantitative Biology 2007-05-23 Debojyoti Dutta , Ting Chen

A Profile Mixture Model is a model of protein evolution, describing sequence data in which sites are assumed to follow many related substitution processes on a single evolutionary tree. The processes depend in part on different amino acid…

Populations and Evolution · Quantitative Biology 2020-07-07 Samaneh Yourdkhani , Elizabeth S. Allman , John A. Rhodes