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When clustering molecular dynamics (MD) trajectories into a few metastable conformational states, the Markov state models (MSMs) assumption of timescale separation between fast intrastate fluctuations and rarely occurring interstate…

Soft Condensed Matter · Physics 2025-01-17 Sofia Sartore , Franziska Teichmann , Gerhard Stock

Tumor heterogeneity is a complex and widely recognized trait that poses significant challenges in developing effective cancer therapies. In particular, many tumors harbor a variety of subpopulations with distinct therapeutic response…

Populations and Evolution · Quantitative Biology 2023-06-14 C. Wu , E. B. Gunnarsson , E. M. Myklebust , A. Köhn-Luque , D. S. Tadele , J. M. Enserink , A. Frigessi , J. Foo , K. Leder

We present a novel mathematical model of heterogeneous cell proliferation where the total population consists of a subpopulation of slow-proliferating cells and a subpopulation of fast-proliferating cells. The model incorporates two…

Cell Behavior · Quantitative Biology 2021-11-04 Sean T. Vittadello , Scott W. McCue , Gency Gunasingh , Nikolas K. Haass , Matthew J. Simpson

This study introduces a pore morphology algorithm that emphasizes the central role of topology in multiphase flow through porous media. Analysis of drainage in lattice-based pore networks identifies two key quantities, the percolation…

Statistical Mechanics · Physics 2025-08-27 Fernando Alonso-Marroquin

Understanding the merging behavior patterns at freeway on-ramps is important for assistanting the decisions of autonomous driving. This study develops a primitive-based framework to identify the driving patterns during merging processes and…

Signal Processing · Electrical Eng. & Systems 2021-08-03 Yue Zhang , Yajie Zou , Lingtao Wuand Wanbing Han

Population structure induced by both spatial embedding and more general networks of interaction, such as model social networks, have been shown to have a fundamental effect on the dynamics and outcome of evolutionary games. These effects…

Populations and Evolution · Quantitative Biology 2009-11-13 Gergely J Szollosi , Imre Derenyi

The 3D folding of a mammalian gene can be studied by a polymer model, where the chromatin fibre is represented by a semiflexible polymer which interacts with multivalent proteins, representing complexes of DNA-binding transcription factors…

Biological Physics · Physics 2023-12-20 Andrea Bonato , Dom Corbett , Sergey Kitaev , Davide Marenduzzo , Alexander Morozov , Enzo Orlandini

Protein folding cooperativity is defined by the nature of the finite-size thermodynamic transition exhibited upon folding: two-state transitions show a free energy barrier between the folded and unfolded ensembles, while downhill folding is…

Biomolecules · Quantitative Biology 2017-08-23 Tristan Bereau , Michael Bachmann , Markus Deserno

We introduce a new model to study the oscillations of opposite flows sharing a common bottleneck and moving on two Totally Asymmetric Simple Exclusion Process (TASEP) lanes. We provide a theoretical analysis of the phase diagram, valid when…

Statistical Mechanics · Physics 2012-06-15 Asja Jelić , Cécile Appert-Rolland , Ludger Santen

We numerically investigate and experimentally demonstrate an in-situ topological band transition in a highly tunable mechanical system made of cylindrical granular particles. This system allows us to tune its inter-particle stiffness in a…

Pattern Formation and Solitons · Physics 2017-07-19 Rajesh Chaunsali , Aman Thakkar , Eunho Kim , Panayotis G. Kevrekidis , Jinkyu Yang

Branching processes are a class of continuous-time Markov chains (CTMCs) with ubiquitous applications. A general difficulty in statistical inference under partially observed CTMC models arises in computing transition probabilities when the…

Computation · Statistics 2015-03-10 Jason Xu , Vladimir N. Minin

In this paper we examine the use of topological methods for multivariate statistics. Using persistent homology from computational algebraic topology, a random sample is used to construct estimators of persistent homology. This estimation…

Statistics Theory · Mathematics 2021-01-29 Peter Bubenik , Gunnar Carlsson , Peter T. Kim , Zhiming Luo

The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…

Biomolecules · Quantitative Biology 2014-07-15 Cameron Mura , Charles E. McAnany

Semiflexible polymers in poor solvents exhibit a rich variety of collapsed morphologies, including globules, toroids, and rodlike bundles, arising from the competition between attractive interactions and chain stiffness. Computer…

Statistical Mechanics · Physics 2026-01-22 Biman Bagchi

We introduce a graphical method originating from the computer graphics domain that is used for the arbitrary and intuitive placement of cells over a two-dimensional manifold. Using a bitmap image as input, where the color indicates the…

Neural and Evolutionary Computing · Computer Science 2018-03-23 Nicolas P. Rougier

We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a non-equilibrium steady state. We apply this method to study the globule-stretch transition of a single…

Soft Condensed Matter · Physics 2017-02-28 Fabian Knoch , Thomas Speck

Persistent homology is a cornerstone of topological data analysis, offering a multiscale summary of topology with robustness to nuisance transformations, such as rotations and small deformations. Persistent homology has seen broad use…

Methodology · Statistics 2025-11-19 Zitian Wu , Arkaprava Roy , Leo L. Duan

Markov community models have been applied to sessile organisms because such models facilitate estimation of transition probabilities by tracking species occupancy at many fixed observation points over multiple periods of time. Estimation of…

Applications · Statistics 2017-06-12 Keiichi Fukaya , J. Andrew Royle , Takehiro Okuda , Masahiro Nakaoka , Takashi Noda

In contrast to the usual bulk-boundary correspondence, topological states localized within the bulk of the system have been numerically identified in quasicrystalline structures, termed bulk localized transport (BLT) states. These states…

Topological magnetic textures are particle-like spin configurations stabilized by competing interactions. Their formation is commonly attributed to fluctuation-driven, first-order nucleation processes requiring activation over a topological…

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