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Protein assembly plays an important role throughout all phyla of life, both physiologically and pathologically. In particular, aggregation and polymerization of proteins are key-strategies that regulate cellular function. In recent years,…

Over the last decade, proteomic analysis of single cells by mass spectrometry transitioned from an uncertain possibility to a set of robust and rapidly advancing technologies supporting the accurate quantification of thousands of proteins.…

Quantitative Methods · Quantitative Biology 2026-04-14 Nikolai Slavov

Mammalian cells have about 30,000-fold more protein molecules than mRNA molecules. This larger number of molecules and the associated larger dynamic range have major implications in the development of proteomics technologies. We examine…

Quantitative Methods · Quantitative Biology 2023-03-14 Michael J. MacCoss , Javier Alfaro , Meni Wanunu , Danielle A. Faivre , Nikolai Slavov

Stellar abundance analysis relies on flexible, high-performance spectral synthesis. To meet these needs, we present PySME v1.0, an updated Python implementation of Spectroscopy Made Easy (SME) designed for precise and survey-scale modelling…

Instrumentation and Methods for Astrophysics · Physics 2026-05-12 Mingjie Jian , Nikolai Piskunov , Jeff Valenti , Ella Xi Wang , Brian Thorsbro , Henrik Jönsson , Ansgar Wehrhahn

For many macromolecular systems the accurate sampling of the relevant regions on the potential energy surface cannot be obtained by a single, long Molecular Dynamics (MD) trajectory. New approaches are required to promote more efficient…

Computational Engineering, Finance, and Science · Computer Science 2016-06-02 Vivekanandan Balasubramanian , Iain Bethune , Ardita Shkurti , Elena Breitmoser , Eugen Hruska , Cecilia Clementi , Charles Laughton , Shantenu Jha

Single particle tracking is essential in many branches of science and technology, from the measurement of biomolecular forces to the study of colloidal crystals. Standard current methods rely on algorithmic approaches: by fine-tuning…

Soft Condensed Matter · Physics 2018-12-07 Saga Helgadottir , Aykut Argun , Giovanni Volpe

Calibration of individual based models (IBMs), successful in modeling complex ecological dynamical systems, is often performed only ad-hoc. Bayesian inference can be used for both parameter estimation and uncertainty quantification, but its…

Computation · Statistics 2017-11-09 Jonas Šukys , Mira Kattwinkel

Super-resolution imaging techniques have largely improved our capabilities to visualize nanometric structures in biological systems. Their application further enables one to potentially quantitate relevant parameters to determine the…

Biological Physics · Physics 2019-12-18 Tina Kosǔta , Marta Cullell-Dalmau , Francesca Cella Zanacchi , Carlo Manzo

Single-molecule tracking (SMT) methods are under considerable expansion in many fields of cell biology, as the dynamics of cellular components in biological mechanisms becomes increasingly relevant. Despite the development of SMT…

Quantitative Methods · Quantitative Biology 2015-06-08 Sylvain Tollis

Multiplexed imaging data are revolutionizing our understanding of the composition and organization of tissues and tumors. A critical aspect of such tissue profiling is quantifying the spatial relationship relationships among cells at…

Quantitative Methods · Quantitative Biology 2024-05-06 Ajit J. Nirmal , Peter K. Sorger

Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in solving challenging problems across various aspects of…

Computational Engineering, Finance, and Science · Computer Science 2022-10-11 Wenhao Gao , Tianfan Fu , Jimeng Sun , Connor W. Coley

Motivation: Recent advances in single-cell analysis have introduced new computational challenges. Researchers often need to use multiple analysis tools written in different programming languages while managing version conflicts between…

Genomics · Quantitative Biology 2025-08-12 Ryuichiro Nakato , Luis Augusto Eijy Nagai

Various techniques have been developed to measure the 2D and 3D positions and 2D and 3D orientations of fluorescent molecules with improved precision over standard epifluorescence microscopes. Due to the challenging signal-to-background…

Optics · Physics 2021-02-02 Oumeng Zhang , Matthew D. Lew

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan

We introduce software for reading, writing and processing fluorescence single-molecule and image spectroscopy data and developing analysis pipelines that unifies various spectroscopic analysis tools. Our software can be used for processing…

In recent years, x-ray speckle tracking techniques have emerged as viable tools for wavefront metrology and sample imaging applications. These methods are based on the measurement of near-field images. Thanks to the simple experimental…

Image and Video Processing · Electrical Eng. & Systems 2020-03-31 Andrew J. Morgan , Kevin T. Murray , Harry M. Quiney , Saša Bajt , Henry N. Chapman

Microscopy, in particular scanning probe and electron microscopy, has been pivotal in improving our understanding of structure-function relationships at the nanoscale and is by now ubiquitous in most research characterization labs and…

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…

Inspection of tissues using a light microscope is the primary method of diagnosing many diseases, notably cancer. Highly multiplexed tissue imaging builds on this foundation, enabling the collection of up to 60 channels of molecular…