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Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analyzing multiscale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD)…

计算物理 · 物理学 2015-06-18 Radek Erban

We study the one-dimensional motion of a Brownian particle inside a confinement described by two reactive boundaries which can partially reflect or absorb the particle. Understanding the effects of such boundaries is important in physics,…

统计力学 · 物理学 2021-03-30 Arnab Pal , Isaac Pérez Castillo , Anupam Kundu

While it is very common to model diffusion as a random walk by assuming memorylessness of the trajectory and diffusive step lengths, these assumptions can lead to significant errors. This paper describes the extent to which a physical…

统计力学 · 物理学 2025-08-07 Ludovico Cademartiri

This work proposes a method for the two-dimensional simulation of Brownian particles in a fluid with restrictions. The method is based on simple numerical rules between two matrices. One of the matrix represent the identification of all…

统计力学 · 物理学 2012-04-24 Eric Plaza

Brownian dynamics of colloidal particles on complex surfaces has found important applications in diverse physical, chemical and biological processes. However, current Brownian dynamics simulation algorithms mostly work for relatively simple…

软凝聚态物质 · 物理学 2019-11-26 Yuguang Yang , Bo Li

The study of moving particles (e.g. molecules, virus, vesicles, organelles, or whole cells) is crucial to decipher a plethora of cellular mechanisms within physiological and pathological conditions. Powerful live-imaging approaches enable…

数值分析 · 数学 2023-11-13 Eloina Corradi , Maurizio Tavelli , Marie-Laure Baudet , Walter Boscheri

Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. However, a step on the surface can act effectively as a source…

材料科学 · 物理学 2016-08-31 D. Passerone , U. Tartaglino , F. Ercolessi , E. Tosatti

Interactive molecular graphics applications facilitate analysis of three dimensional protein structures. Naturally, non-interactive 2-D snapshots of the protein structures do not convey the same level of geometric detail. Several 2-D…

定量方法 · 定量生物学 2014-02-24 Francis Bell , Chunyu Zhao , Ahmet Sacan

The analysis of single particle trajectories plays an important role in elucidating dynamics within complex environments such as those found in living cells. However, the characterization of intracellular particle motion is often confounded…

The dynamical behavior of the column that made up binary granular beads is investigated systematically by tracking the displacement of particles in the collapse process. An experimental setup is first devised to control the quasi-static…

软凝聚态物质 · 物理学 2019-03-26 Hongwei Zhu , Yaodong Feng , Danfeng Lu , Yahya Sandali , Bin Li , Gang Sun , Ning Zheng , Qingfan Shi

We combine confocal imaging, microfluidics and image analysis to record 3D-images of cells in flow. This enables us to recover the full 3D representation of several hundred living cells per minute. Whereas 3D confocal imaging has thus far…

流体动力学 · 物理学 2017-09-19 S. Quint , A. F. Christ , A. Guckenberger , S. Himbert , L. Kaestner , S. Gekle , C. Wagner

The dynamics of a tracer molecule near a fluid membrane is investigated, with particular emphasis given to the interplay between the instantaneous position of the particle and membrane fluctuations. It is found that hydrodynamic…

软凝聚态物质 · 物理学 2009-11-11 Thomas Bickel

Recent advances in molecular biology and fluorescence microscopy imaging have made possible the inference of the dynamics of single molecules in living cells. Such inference allows to determine the organization and function of the cell. The…

应用统计 · 统计学 2018-06-20 Vincent Briane , Charles Kervrann , Myriam Vimond

Particle tracking velocimetry in 3D is becoming an increasingly important imaging tool in the study of fluid dynamics, combustion as well as plasmas. We introduce a dynamic discrete tomography algorithm for reconstructing particle…

流体动力学 · 物理学 2015-01-23 Andreas Alpers , Peter Gritzmann , Dmitry Moseev , Mirko Salewski

The stochastic trajectories of molecules in living cells, as well as the dynamics in many other complex systems, often exhibit memory in their path over long periods of time. In addition, these systems can show dynamic heterogeneities due…

An analysis on the discrete versus continuous views of kinetics of macromolecules is presented. It is shown that the discrete approach traditional to biochemistry is insufficient for understanding the dynamics of protein molecules in…

生物物理 · 物理学 2007-05-23 Hong Qian

Navigation of microorganisms is controlled by internal processes ultimately sensitive to mechanical or chemical signaling encountered along the path. In many natural environments, such as porous soils or physiological ducts, motile species…

Signal transduction and cell function are governed by the spatiotemporal organization of membrane-associated molecules. Despite significant advances in visualizing molecular distributions by 3D light microscopy, cell biologists still have…

We present a position Langevin equation for overdamped particle motion on rough two-dimensional surfaces. A Brownian Dynamics algorithm is suggested to evolve this equation numerically, allowing for the prediction of effective (projected)…

软凝聚态物质 · 物理学 2009-11-13 Ali Naji , Frank L. H. Brown

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…

统计方法学 · 统计学 2018-04-16 Vincent Briane , Charles Kervrann , Myriam Vimond
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