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The coarse-grained molecular dynamics (MD) or Brownian dynamics (BD) simulation is a particle-based approach that has been applied to a wide range of biological problems that involve interactions with surrounding fluid molecules or the…

Soft Condensed Matter · Physics 2014-11-20 Szu-Pei Fu , Yuan-Nan Young , Shidong Jiang

Cell migration, which is strictly regulated by intracellular and extracellular cues, is crucial for normal physiological processes and the progression of certain diseases. However, there is a lack of an efficient approach to analyze…

Biological Physics · Physics 2025-04-11 Yanping Liu , Dui Qin , Xinwei Li , Guoqiang Li , Zhichao Liu , Kena Song , Wei Wang , Zhangyong Li

Traditional approaches in mental health research apply General Linear Models (GLM) to describe the longitudinal dynamics of observed psycho-behavioral measurements (questionnaire summary scores). Similarly, GLMs are also applied to…

We search for digital biomarkers from Parkinson's Disease by observing approximate repetitive patterns matching hypothesized step and stride periodic cycles. These observations were modeled as a cycle of hidden states with randomness…

Quantitative Methods · Quantitative Biology 2017-11-15 Avinash Bukkittu , Baihan Lin , Trung Vu , Itsik Pe'er

There is an increasing demand for computing the relevant structures, equilibria and long-timescale kinetics of biomolecular processes, such as protein-drug binding, from high-throughput molecular dynamics simulations. Current methods employ…

Machine Learning · Statistics 2018-02-07 Andreas Mardt , Luca Pasquali , Hao Wu , Frank Noé

Single-molecule narrowfield microscopy is a versatile tool to investigate a diverse range of protein dynamics in live cells and has been extensively used in bacteria. Here, we describe how these methods can be extended to larger eukaryotic,…

Subcellular Processes · Quantitative Biology 2016-06-09 Adam J. M. Wollman , Mark C. Leake

Clarifying electronic and vibronic properties at individual molecule level provides key insights to future chemistry, nanoelectronics, and quantum information technologies. The single electron tunneling spectroscopy has been used to study…

Mesoscale and Nanoscale Physics · Physics 2018-09-05 Shaoqing Du , Kenji Yoshida , Ya Zhang , Ikutaro Hamada , Kazuhiko Hirakawa

Most single-molecule studies derive the kinetic rates of native, intermediate, and unfolded states from equilibrium hopping experiments. Here, we apply Kramers kinetic diffusive model to derive the force-dependent kinetic rates of…

Soft Condensed Matter · Physics 2022-04-13 Marc Rico-Pasto , Anna Alemany , Felix Ritort

We develop an general formalism of single enzyme kinetics in two dimension where substrates diffuse stochastically on a square lattice in presence of disorder. The dynamics of the model could be decoupled effectively to two stochastic…

Chemical Physics · Physics 2009-01-20 Mahashweta Basu , P. K. Mohanty

Understanding the behavior of complex molecular systems is a fundamental problem in physical chemistry. To describe the long-time dynamics of such systems, which is responsible for their most informative characteristics, we can identify a…

Chemical Physics · Physics 2024-09-11 Jakub Rydzewski

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

One of the most intriguing results of single molecule experiments on proteins and nucleic acids is the discovery of functional heterogeneity: the observation that complex cellular machines exhibit multiple, biologically active…

Biomolecules · Quantitative Biology 2022-10-12 Michael Hinczewski , Changbong Hyeon , D. Thirumalai

Interfacial fluctuations in a two-phase binary fluid mixture reveal signatures of underlying physical processes that occur within each phase and on a range of spatial and temporal scales. In this study, we investigate a model binary fluid…

Fluid Dynamics · Physics 2026-03-04 Samuel Z Khiangte , Triparna Sanyal , Sumantra Sarkar , Nairita Pal

There is an increase in interest to model driving maneuver patterns via the automatic unsupervised clustering of naturalistic sequential kinematic driving data. The patterns learned are often used in transportation research areas such as…

Machine Learning · Statistics 2023-11-14 Matthew Aguirre , Wenbo Sun , Jionghua , Jin , Yang Chen

The Continuous-Time Hidden Markov Model (CT-HMM) is an attractive approach to modeling disease progression due to its ability to describe noisy observations arriving irregularly in time. However, the lack of an efficient parameter learning…

Understanding chromatin organization and dynamics is important since they crucially affect DNA functions. In this study, we investigate chromatin dynamics by statistically analyzing single-nucleosome movement in living human cells. Bi-modal…

Soft Condensed Matter · Physics 2022-10-12 S. S. Ashwin , Tadasu Nozaki , Kazuhiro Maeshima , Masaki Sasai

With the advent of Transformer-based one-stream trackers that possess strong capability in inter-frame relation modeling, recent research has increasingly focused on how to introduce spatio-temporal context. However, most existing methods…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Wenrui Cai , Zhenyi Lu , Yuzhe Li , Yongchao Feng , Jinqing Zhang , Qingjie Liu , Yunhong Wang

A goal of clinical researchers is to understand the progression of a disease through a set of biomarkers. Researchers often conduct observational studies, where they collect numerous samples from selected subjects throughout multiple years.…

Human-Computer Interaction · Computer Science 2020-07-27 Bum Chul Kwon

Structural breaks occur in timeseries data across a broad range of fields, from economics to nanosciences. For measurements of single-molecule break junctions, structural breaks in conductance versus displacement data occur when the…

Structural biology has long been dominated by the one sequence, one structure, one function paradigm, yet many critical biological processes - from enzyme catalysis to membrane transport - depend on proteins that adopt multiple…

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