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We present a simple and robust technique to extract kinetic rate models and thermodynamic quantities from single molecule time traces. SMACKS (Single Molecule Analysis of Complex Kinetic Sequences) is a maximum likelihood approach that…

Quantitative Methods · Quantitative Biology 2022-03-10 Sonja Schmid , Markus Götz , Thorsten Hugel

Disordered proteins play essential roles in myriad cellular processes, yet their structural characterization remains a major challenge due to their dynamic and heterogeneous nature. We here present a community-driven initiative to address…

Despite decades of extensive research, the large-scale analysis of membrane proteins remains a difficult task. This is due to the fact that membrane proteins require a carefully balanced hydrophilic and lipophilic environment, which optimum…

Genomics · Quantitative Biology 2009-06-15 Thierry Rabilloud

In this paper we develop a Bayesian statistical inference approach to the unified analysis of isobaric labelled MS/MS proteomic data across multiple experiments. An explicit probabilistic model of the log-intensity of the isobaric labels'…

Applications · Statistics 2014-07-25 Howsun Jow , Richard J. Boys , Darren J. Wilkinson

The full understanding of cellular functions requires information about protein numbers for various biomolecular assemblies and their dynamics, which can be partly accessed by super-resolution fluorescence microscopy. Yet, many protein…

Biological Physics · Physics 2020-06-17 Kristin S. Grußmayer , Klaus Yserentant , Dirk-Peter Herten

Liquid chromatography mass spectrometry (LC-MS)-based metabolomics and exposomics aim to measure detectable small molecules in biological samples. The results facilitate hypothesis-generating discovery of metabolic changes and disease…

Quantitative Methods · Quantitative Biology 2026-01-06 Xujun Che , Xiuxia Du , Depeng Xu

Mass cytometry technology enables the simultaneous measurement of over 40 proteins on single cells. This has helped immunologists to increase their understanding of heterogeneity, complexity, and lineage relationships of white blood cells.…

Cell populations are never truly homogeneous; individual cells exist in biochemical states that define functional differences between them. New technology based on microfluidic arrays combined with multiplexed quantitative polymerase chain…

Machine learning (ML) is increasingly adopted in scientific research, yet the quality and reliability of results often depend on how experiments are designed and documented. Poor baselines, inconsistent preprocessing, or insufficient…

Machine Learning · Computer Science 2025-12-01 Umberto Michelucci , Francesca Venturini

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

Diffusion coefficient measurements are important for many biological and material investigations, such as particle dynamics, kinetics, and size determinations. Amongst current measurement methods, single particle tracking (SPT) offers the…

Biomolecules · Quantitative Biology 2011-07-12 Shannon Kian Zareh , Michael C. DeSantis , Jonathan Kessler , Je-Luen Li , Y. M. Wang

As single-cell gene expression data analysis continues to grow, the need for reliable clustering methods has become increasingly important. The prevalence of heuristic means for method choice could lead to inaccurate reports if…

Quantitative Methods · Quantitative Biology 2026-05-19 Owen Visser , Somnath Datta

Mass spectrometry proteomics, characterized by spiky, spatially heterogeneous functional data, can be used to identify potential cancer biomarkers. Existing mass spectrometry analyses utilize mean regression to detect spectral regions that…

Methodology · Statistics 2020-07-03 Yusha Liu , Meng Li , Jeffrey S. Morris

Modern single-cell flow and mass cytometry technologies measure the expression of several proteins of the individual cells within a blood or tissue sample. Each profiled biological sample is thus represented by a set of hundreds of…

Machine Learning · Computer Science 2022-06-29 Siyuan Shan , Vishal Baskaran , Haidong Yi , Jolene Ranek , Natalie Stanley , Junier Oliva

We review methods of data analysis for biophysical data with a special emphasis on single molecule applications. Our review is intended for anyone, from student to established researcher. For someone just getting started, we focus on…

Biological Physics · Physics 2016-11-24 Meysam Tavakoli , J. Nicholas Taylor , Chun-Biu Li , Tamiki Komatsuzaki , Steve Pressé

Tissues and organs are composed of distinct cell types that must operate in concert to perform physiological functions. Efforts to create high-dimensional biomarker catalogs of these cells are largely based on transcriptomic single-cell…

In immunological studies, the characterization of small, functionally distinct cell subsets from blood and tissue is crucial to decipher system level biological changes. An increasing number of studies rely on assays that provide…

Despite more than 100 years of study, it is unclear if the movement of proteins inside the cell is best described as a mosh pit or an exquisitely choreographed dance. Recent studies suggest the latter. Local interactions induce molecular…

Quantitative Methods · Quantitative Biology 2023-08-25 James A. Galbraith , Catherine G. Galbraith

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…

Quantitative Methods · Quantitative Biology 2021-10-18 Chris McKennan , Zhe Sang , Yi Shi