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Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Shotgun proteomics is a high-throughput technology used to identify unknown proteins in a complex mixture. At the heart of this process is a prediction task, the spectrum identification problem, in which each fragmentation spectrum produced…

Computational Engineering, Finance, and Science · Computer Science 2012-10-19 Ajit P. Singh , John Halloran , Jeff A. Bilmes , Katrin Kirchoff , William S. Noble

Target detection in hyperspectral imagery is the process of locating pixels from an image which are likely to contain target, typically done by comparing one or more spectra for the desired target material to each pixel in the image. Target…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 William Basener

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

In the context of biometrics, matching confidence refers to the confidence that a given matching decision is correct. Since many biometric systems operate in critical decision-making processes, such as in forensics investigations,…

Computer Vision and Pattern Recognition · Computer Science 2023-04-24 Pedro C. Neto , Ana F. Sequeira , Jaime S. Cardoso , Philipp Terhörst

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

The method of maximum likelihood estimation (MLE) is a widely used statistical approach for estimating the values of one or more unknown parameters of a probabilistic model based on observed data. In this tutorial, I briefly review the…

Data Analysis, Statistics and Probability · Physics 2018-12-03 Anthony Vella

BACKGROUND: One of the most evident achievements of bioinformatics is the development of methods that transfer biological knowledge from characterised proteins to uncharacterised sequences. This mode of protein function assignment is mostly…

Quantitative Methods · Quantitative Biology 2007-09-28 Emmanuel D. Levy , Christos A. Ouzounis , Walter R. Gilks , Benjamin Audit

Mixture - modeling of mass spectra is an approach with many potential applications including peak detection and quantification, smoothing, de-noising, feature extraction and spectral signal compression. However, existing algorithms do not…

Computation · Statistics 2015-08-04 Andrzej Polanski , Michal Marczyk , Monika Pietrowska , Piotr Widlak , Joanna Polanska

Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein…

Quantitative Methods · Quantitative Biology 2019-04-11 Carlos Fernandez-Lozano , Ruben F. Cuinas , Jose A. Seoane , Enrique Fernandez-Blanco , Julian Dorado , Cristian R. Munteanu

Rationale: In a shotgun proteomics experiment with data-dependent acquisition, real-time analysis of a precursor scan results in selection of a handful of peaks for subsequent isolation, fragmentation and secondary scanning. This peak…

Quantitative Methods · Quantitative Biology 2012-07-26 Benjamin J. Diament , Michael J. MacCoss , William Stafford Noble

Probabilistic Face Embeddings (PFE) can improve face recognition performance in unconstrained scenarios by integrating data uncertainty into the feature representation. However, existing PFE methods tend to be over-confident in estimating…

Computer Vision and Pattern Recognition · Computer Science 2021-06-23 Kai Chen , Qi Lv , Taihe Yi

The common techniques to study protein-protein proximity in vivo are not well-adapted to the capabilities and the expertise of a standard proteomics laboratory, typically based on the use of mass spectrometry. With the aim of closing this…

Molecular Networks · Quantitative Biology 2011-08-30 Arman Kulyyassov , Muhammad Shoaib , Andrei Pichugin , Patricia Kannouche , Erlan Ramanculov , Marc Lipinski , Vasily Ogryzko

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

Statistically meaningful comparison/combination of peptide identification results from various search methods is impeded by the lack of a universal statistical standard. Providing an E-value calibration protocol, we demonstrated earlier the…

Quantitative Methods · Quantitative Biology 2010-09-20 Gelio Alves , Aleksey Y. Ogurtsov , Yi-Kuo Yu

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a…

Machine Learning · Computer Science 2023-01-30 Michael Murphy , Stefanie Jegelka , Ernest Fraenkel , Tobias Kind , David Healey , Thomas Butler

Motivated by an open problem of validating protein identities in label-free shotgun proteomics work-flows, we present a testing procedure to validate class/protein labels using available measurements across instances/peptides. More…

Methodology · Statistics 2020-06-05 Melissa C. Key , Ben Boukai

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

Digital assays represent a shift from traditional diagnostics and enable the precise detection of low-abundance analytes, critical for early disease diagnosis and personalized medicine, through discrete counting of biomolecular reporters.…

Computational Physics · Physics 2025-12-08 Neil H. Kim , Xiao-Liu Chu , Joseph B. DeGrandchamp , Matthew R. Foreman

The problem of searching for a model-based scene interpretation is analyzed within a probabilistic framework. Object models are formulated as generative models for range data of the scene. A new statistical criterion, the truncated object…

Computer Vision and Pattern Recognition · Computer Science 2007-05-23 Ulrich Hillenbrand , Gerd Hirzinger