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In situ measurement of cellular metabolites is still a challenge in biology. Conventional methods, such as mass spectrometry or fluorescence microscopy, would either destruct the sample or introduce strong perturbations to the functions of…

Quantitative Methods · Quantitative Biology 2019-12-19 Kai-Chih Huang , Junjie Li , Chi Zhang , Yuying Tan , Ji-Xin Cheng

In modern day simulations of many-body systems much of the computational complexity is shifted to the identification of slowly changing molecular order parameters called collective variables (CV) or reaction coordinates. A vast array of…

Statistical Mechanics · Physics 2016-04-27 Pratyush Tiwary , B. J. Berne

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

The existing barely-supervised medical image segmentation (BSS) methods, adopting a registration-segmentation paradigm, aim to learn from data with very few annotations to mitigate the extreme label scarcity problem. However, this paradigm…

Computer Vision and Pattern Recognition · Computer Science 2024-07-09 Junming Su , Zhiqiang Shen , Peng Cao , Jinzhu Yang , Osmar R. Zaiane

Sparse subspace clustering (SSC) is one of the current state-of-the-art methods for partitioning data points into the union of subspaces, with strong theoretical guarantees. However, it is not practical for large data sets as it requires…

Computer Vision and Pattern Recognition · Computer Science 2019-08-06 Maryam Abdolali , Nicolas Gillis , Mohammad Rahmati

In the past decades, advances in microscopy have made it possible to study the dynamics of individual biomolecules in vitro and resolve intramolecular kinetics that would otherwise be hidden in ensemble averages. More recently,…

Quantitative Methods · Quantitative Biology 2018-09-11 Johan Elf , Irmeli Barkefors

Analysis of single-cell transcriptomics often relies on clustering cells and then performing differential gene expression (DGE) to identify genes that vary between these clusters. These discrete analyses successfully determine cell types…

Quantitative Methods · Quantitative Biology 2022-10-07 Renee S. Hoekzema , Lewis Marsh , Otto Sumray , Thomas M. Carroll , Xin Lu , Helen M. Byrne , Heather A. Harrington

Current single molecule methods either rely on fluorescence or lack chemical information. Here we report stimulated Raman photothermal encoded scattering (SRPSCAT) microscopy for quantitative bond-selective imaging of single-biomolecule…

In systems biomedicine, an experimenter encounters different potential sources of variation in data such as individual samples, multiple experimental conditions, and multi-variable network-level responses. In multiparametric cytometry,…

Particle Swarm Optimisation (PSO) makes use of a dynamical system for solving a search task. Instead of adding search biases in order to improve performance in certain problems, we aim to remove algorithm-induced scales by controlling the…

Neural and Evolutionary Computing · Computer Science 2014-02-28 Adam Erskine , J Michael Herrmann

In Proteomics, only the de novo peptide sequencing approach allows a partial amino acid sequence of a peptide to be found from a MS/MS spectrum. In this article a preliminary work is presented to discover a complete protein sequence from…

Quantitative Methods · Quantitative Biology 2008-12-18 Jean-Charles Boisson , Laetitia Jourdan , El-Ghazali Talbi , Christian Rolando

Sequential Monte Carlo (SMC) samplers are powerful tools for Bayesian inference but suffer from high computational costs due to their reliance on large particle ensembles for accurate estimates. We introduce persistent sampling (PS), an…

Machine Learning · Statistics 2025-06-24 Minas Karamanis , Uroš Seljak

An improved analysis for single particle imaging (SPI) experiments, using the limited data, is presented here. Results are based on a study of bacteriophage PR772 performed at the AMO instrument at the Linac Coherent Light Source (LCLS) as…

The Probe-Particle Model combine theories designed for the simulation of scanning probe microscopy experiments, employing non-reactive, flexible tip apices to achieve sub-molecular resolution. In the article we present the latest version of…

Mesoscale and Nanoscale Physics · Physics 2024-07-02 Niko Oinonen , Aliaksandr V. Yakutovich , Aurelio Gallardo , Martin Ondracek , Prokop Hapala , Ondrej Krejci

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

Protein phosphorylation provides a dynamic readout of cellular signaling yet remains difficult to detect at low abundance and stoichiometry. Single-molecule surface-enhanced Raman spectroscopy (SM-SERS) using particle-in-pore plasmonic…

Mesoscale and Nanoscale Physics · Physics 2026-04-09 Mulusew W. Yaltaye , Yingqi Zhao , Kuo Zhan , Vahid Farrahi , Jian-An Huang

Compound-Protein Interaction (CPI) prediction aims to predict the pattern and strength of compound-protein interactions for rational drug discovery. Existing deep learning-based methods utilize only the single modality of protein sequences…

Biomolecules · Quantitative Biology 2024-02-14 Lirong Wu , Yufei Huang , Cheng Tan , Zhangyang Gao , Bozhen Hu , Haitao Lin , Zicheng Liu , Stan Z. Li

Modern parallel computing devices, such as the graphics processing unit (GPU), have gained significant traction in scientific and statistical computing. They are particularly well-suited to data-parallel algorithms such as the particle…

Computation · Statistics 2015-06-12 Lawrence M. Murray , Anthony Lee , Pierre E. Jacob

Extracellular protein concentrations and gradients queue a wide range of cellular responses, such as cell motility and division. Spatio-temporal quantification of these concentrations as produced by cells has proven challenging. As a…

Quantitative Methods · Quantitative Biology 2015-05-12 Jeff M. Byers , Joseph A. Christodoulides , James B. Delehanty , Deepa Raghu , Marc P. Raphael
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