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In order to deliver effective care, health management must consider the distinctive trajectories of chronic diseases. These diseases recurrently undergo acute, unstable, and stable phases, each of which requires a different treatment…

Applications · Statistics 2022-06-03 Christof Naumzik , Stefan Feuerriegel , Anne Molgaard Nielsen

Background: The recent explosion of experimental techniques in single molecule biophysics has generated a variety of novel time series data requiring equally novel computational tools for analysis and inference. This article describes in…

Quantitative Methods · Quantitative Biology 2010-09-07 Jonathan E. Bronson , Jake M. Hofman , Jingyi Fei , Ruben L. Gonzalez , Chris H. Wiggins

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

Single-molecule force spectroscopy has proven to be a powerful tool for studying the kinetic behavior of biomolecules. Through application of an external force, conformational states with small or transient populations can be stabilized,…

We address the problem of analyzing sets of noisy time-varying signals that all report on the same process but confound straightforward analyses due to complex inter-signal heterogeneities and measurement artifacts. In particular we…

Single-particle tracking allows to infer the motion of single molecules in living cells. When we observe a long trajectory (more than 100 points), it is possible that the particle switches mode of motion over time. Then, fitting a single…

Methodology · Statistics 2018-04-16 Vincent Briane , Charles Kervrann , Myriam Vimond

The conformational kinetics of enzymes can be reliably revealed when they are governed by Markovian dynamics. Hidden Markov Models (HMMs) are appropriate especially in the case of conformational states that are hardly distinguishable.…

Quantitative Methods · Quantitative Biology 2009-02-05 A. Kovalev , N. Zarrabi , F. Werz , M. Boersch , Z. Ristic , H. Lill , D. Bald , C. Tietz , J. Wrachtrup

Single molecule time traces reveal the time evolution of unsynchronized kinetic systems. Especially single molecule F\"orster resonance energy transfer (smFRET) provides access to enzymatically important timescales, combined with molecular…

Quantitative Methods · Quantitative Biology 2018-01-17 Sonja Schmid , Thorsten Hugel

Time series of conformational dynamics in proteins are usually evaluated with hidden Markov models (HMMs). This approach works well if the number of states and their connectivity is known. However, for the multi-domain protein Hsp90, a…

Understanding the dynamic behavior of biomolecules is fundamental to elucidating biological function and facilitating drug discovery. While Molecular Dynamics (MD) simulations provide a rigorous physical basis for studying these dynamics,…

Biomolecules · Quantitative Biology 2026-03-19 Liang Shi , Jiarui Lu , Junqi Liu , Chence Shi , Zhi Yang , Jian Tang

Single-molecule tracking is a powerful way to look at the dynamic organization of plasma membranes. However, there are some limitations to its use. For example, it was recently observed, using numerical simulation, that time-averaging…

Quantitative Methods · Quantitative Biology 2009-11-13 Nicolas Destainville , Laurence Salome

We describe a simple automated method to extract and quantify transient heterogeneous dynamical changes from large datasets generated in single molecule/particle tracking experiments. Based on wavelet transform, the method transforms raw…

Data Analysis, Statistics and Probability · Physics 2013-06-04 Kejia Chen , Bo Wang , Juan Guan , Steve Granick

Systems driven by Brownian motion are ubiquitous. A prevailing challenge is inferring, from data, the diffusion and kinetic parameters that describe these stochastic processes. In this work, we investigate a multi-state diffusion process…

Quantitative Methods · Quantitative Biology 2022-06-20 Lewis R. Baker , Moshe T. Gordon , Brian P. Ziemba , Victoria Gershuny , Joseph J. Falke , David M. Bortz

Recent efforts to survey the numerous softwares available to perform single molecule tracking (SMT) highlighted a significant dependence of the outcomes on the specific method used, and the limitation encountered by most techniques to…

Quantitative Methods · Quantitative Biology 2019-07-26 Carmine di Rienzo , Paolo Annibale

Single-molecule F\"orster Resonance Energy Transfer (smFRET) is ideally suited to resolve the dynamics of biomolecules. A significant challenge to date is capturing and quantifying the exchange between multiple conformational states, mainly…

Optical microscopy provides rich spatio-temporal information characterizing in vivo molecular motion. However, effective forces and other parameters used to summarize molecular motion change over time in live cells due to latent state…

Quantitative Methods · Quantitative Biology 2015-11-06 Christopher P. Calderon , Kerry S. Bloom

Molecular search phenomena are observed in a variety of chemical and biological systems. During the search the participating particles frequently move in complex inhomogeneous environments with random transitions between different dynamic…

Statistical Mechanics · Physics 2018-11-13 Jaeoh Shin , Anatoly B. Kolomeisky

A method is presented that, when used in conjunction with single molecule experimental techniques, allows for the extraction of rates and mechanical properties of a biomolecule undergoing transitions between mechanically distinct states.…

Biomolecules · Quantitative Biology 2009-09-29 Darren E. Segall

Molecular-scale computation is crucial for smart materials and nanoscale devices, yet creating single-molecule systems capable of complex computations remains challenging. We present a theoretical framework for a single-molecule computer…

Statistical Mechanics · Physics 2024-10-01 Zhongmin Zhang , Zhiyue Lu

Single-cell trajectory analysis aims to reconstruct the biological developmental processes of cells as they evolve over time, leveraging temporal correlations in gene expression. During cellular development, gene expression patterns…

Applications · Statistics 2026-03-30 Junhao Zhu , Kevin Zhang , Zhaolei Zhang , Dehan Kong
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