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Imaging mass spectrometry (IMS) is a powerful tool for untargeted, highly multiplexed molecular mapping of tissue in biomedical research. IMS offers a means of mapping the spatial distributions of molecular species in biological tissue with…

Computer Vision and Pattern Recognition · Computer Science 2025-08-05 Yijie Zhang , Luzhe Huang , Nir Pillar , Yuzhu Li , Lukasz G. Migas , Raf Van de Plas , Jeffrey M. Spraggins , Aydogan Ozcan

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

Optical interferometry is amongst the most sensitive techniques for precision measurement. By increasing the light intensity a more precise measurement can usually be made. However, in some applications the sample is light sensitive. By…

Label-free optical absorption microscopy techniques continue to evolve as promising tools for label-free histopathological imaging of cells and tissues. However, critical challenges relating to specificity and contrast, as compared to…

A multitude of measures have been proposed to quantify the similarity between protein 3-D structure. Among these measures, contact map overlap (CMO) maximization deserved sustained attention during past decade because it offers a fine…

Quantitative Methods · Quantitative Biology 2009-04-20 Rumen Andonov , Nicola Yanev , Noël Malod-Dognin

Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…

Quantitative Methods · Quantitative Biology 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

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

There is an urgent need for the development of novel and truly rapid (equal or less than 1 hour) antibiotic susceptibility testing (AST) platforms in order to provide best antimicrobial prescribing practices and to help reduce the…

Subcellular Processes · Quantitative Biology 2025-01-22 Allen Fraiman , Lawrence Ziegler

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

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

A theoretical model of stabilization of a microtubule assembly due to microtubule-associated-proteins(MAP) is presented. MAPs are assumed to bind to the microtubule filaments, thus preventing their disintegration following hydrolysis and…

Subcellular Processes · Quantitative Biology 2012-08-27 Bindu S. Govindan , William B. Spillman,

We propose a computational method to quantitatively evaluate the systematic uncertainties that arise from undetectable sources in biological measurements using live-cell imaging techniques. We then demonstrate this method in measuring…

Quantitative Methods · Quantitative Biology 2019-07-09 Masaki Watabe , Satya N. V. Arjunan , Wei Xiang Chew , Kazunari Kaizu , Koichi Takahashi

Simulating vibronic spectra is a central task in physical chemistry, offering insight into important properties of molecules. Recently, it has been experimentally demonstrated that photonic platforms based on Gaussian boson sampling (GBS)…

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

The condensation of biomolecules into biomolecular condensates via liquid-liquid phase separation (LLPS) is a ubiquitous mechanism that drives cellular organization. To enable these functions, biomolecules have evolved to drive LLPS and…

Biomolecules · Quantitative Biology 2020-03-04 Erik W. Martin , Jesse B. Hopkins , Tanja Mittag

Objective. Prompt-gamma imaging encompasses several approaches for online monitoring of beam range or deposited dose distribution in proton therapy. We test one of the imaging techniques - a coded mask approach - both experimentally and via…

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

Significance: A path is described to increase the sensitivity and accuracy of body-worn devices used to monitor patient health. This path supports improved health management. A wavelength-choice algorithm developed at Mayo demonstrates that…

Applied Physics · Physics 2023-01-10 Barry K. Gilbert , Clifton R. Haider , Daniel J. Schwab , Gary S. Delp

Mass spectrometry, especially so-called tandem mass spectrometry, is commonly used to assess the chemical diversity of samples. The resulting mass fragmentation spectra are representations of molecules of which the structure may have not…

Machine Learning · Computer Science 2025-02-18 Niek de Jonge , Justin J. J. van der Hooft , Daniel Probst