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Point sets matching method is very important in computer vision, feature extraction, fingerprint matching, motion estimation and so on. This paper proposes a robust point sets matching method. We present an iterative algorithm that is…

Computer Vision and Pattern Recognition · Computer Science 2014-11-05 Xiao Liu , Congying Han , Tiande Guo

Two-dimensional partial covariance mass spectrometry (2D-PC-MS) exploits the inherent fluctuations of fragment ion abundances across a series of tandem mass spectra, to identify correlated pairs of fragment ions produced along the same…

We describe an expert system, MAIES, developed for analysing forensic identification problems involving DNA mixture traces using quantitative peak area information. Peak area information is represented by conditional Gaussian distributions,…

Artificial Intelligence · Computer Science 2012-07-02 Robert G. Cowell , Steffen L. Lauritzen , Julia Mortera

There are numerous peptides discovered through past decades, which exhibit antimicrobial and anti-cancerous tendencies. Due to these reasons, peptides are supposed to be sound therapeutic candidates. Some peptides can pose low metabolic…

Machine Learning · Computer Science 2020-12-14 Ali Raza , Hafiz Saud Arshad

Computational predictions of mass spectra from molecules have enabled the discovery of clinically relevant metabolites. However, such predictive tools are still limited as they occupy one of two extremes, either operating (a) by fragmenting…

Quantitative Methods · Quantitative Biology 2023-12-05 Samuel Goldman , John Bradshaw , Jiayi Xin , Connor W. Coley

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…

Computational Physics · Physics 2020-12-02 David M. Rogers

Proteins congregate into complexes to perform fundamental cellular functions. Phenotypic outcomes, in health and disease, are often mechanistically driven by the remodeling of protein complexes by protein coding mutations or cellular…

Molecular assembly offers a promising path to detect life beyond Earth, while minimizing assumptions based on terrestrial life. As mass spectrometers will be central to upcoming Solar System missions, predicting molecular assembly from…

Machine Learning · Computer Science 2025-07-28 Lindsay A. Rutter , Abhishek Sharma , Ian Seet , David Obeh Alobo , An Goto , Leroy Cronin

Introduced more than fifty years ago, dynamic light scattering is routinely used to determine the size distribution of colloidal suspensions, as well as of macromolecules in solution, such as proteins, nucleic acids, and their complexes.…

Identification of nearly all proteins in a system using data-dependent acquisition (DDA) mass spectrometry has become routine for simple organisms, such as bacteria and yeast. Still, quantification of the identified proteins may be a…

Quantitative Methods · Quantitative Biology 2019-01-21 Jesse G. Meyer

Analyzing proteins from single cells by tandem mass spectrometry (MS) has become technically feasible. While such analysis has the potential to accurately quantify thousands of proteins across thousands of single cells, the accuracy and…

Single-particle tracking (SPT) has become a popular tool to study the intracellular transport of molecules in living cells. Inferring the character of their dynamics is important, because it determines the organization and functions of the…

Quantitative Methods · Quantitative Biology 2020-09-09 Joanna Janczura , Patrycja Kowalek , Hanna Loch-Olszewska , Janusz Szwabiński , Aleksander Weron

Multispectral pedestrian detection has attracted increasing attention from the research community due to its crucial competence for many around-the-clock applications (e.g., video surveillance and autonomous driving), especially under…

Computer Vision and Pattern Recognition · Computer Science 2018-08-15 Chengyang Li , Dan Song , Ruofeng Tong , Min Tang

Mass spectrometry (MS) is an important technique for chemical profiling which calculates for a sample a high dimensional histogram-like spectrum. A crucial step of MS data processing is the peak picking which selects peaks containing…

Machine Learning · Statistics 2009-10-05 Theodore Alexandrov , Klaus Steinhorst , Oliver Keszoecze , Stefan Schiffler

Understanding and predicting the phase behavior of intrinsically disordered proteins (IDPs) is of significant interest due to their role in many biological processes. However, effectively characterizing phase behavior and its complex…

Soft Condensed Matter · Physics 2025-07-18 Wesley W. Oliver , William M. Jacobs , Michael A. Webb

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

This paper presents an approach to the evaluation and validation of mass spectrometry data for construction of an `early warning' diagnostic procedure. We describe implementation of a designed experiment and place emphasis on the consistent…

Statistics Theory · Mathematics 2007-06-13 Bart J. A. Mertens , M. E. de Noo , R. A. E. M. Tollenaar , A. M. Deelder

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

In this paper a new method of experimental data analysis, the Particle-Set Identification method, is presented. The method allows to reconstruct moments of multiplicity distribution of identified particles. The difficulty the method copes…

Nuclear Theory · Physics 2020-06-24 M. Gazdzicki , M. I. Gorenstein , M. Mackowiak-Pawlowska , A. Rustamov

Protein interaction networks (PIN) are popular means to visualize the proteome. However, PIN datasets are known to be noisy, incomplete and biased by the experimental protocols used to detect protein interactions. This paper aims at…

Disordered Systems and Neural Networks · Physics 2015-01-06 Alessia Annibale , Anthony C. C. Coolen , Nuria Planell-Morell