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We present a statistical approach to protein structure by introducing a representation of protein folds based on simple observables defined as frequencies of oriented cycles in contact graphs. Motivated by the idea that these cycles may…

生物大分子 · 定量生物学 2016-09-08 A. M. Lisewski , O. Lichtarge

We develop a linearly-scaling variant of the Force Coupling Method [K. Yeo and M. R. Maxey, J. Fluid Mech. 649, 205-231 (2010)] for computing hydrodynamic interactions among particles confined to a doubly-periodic geometry with either a…

An active area of research interest is the inference of ecological models of complex microbial communities. Inferring such ecological models entails understanding the interactions between microbes and how they affect each other's growth.…

应用统计 · 统计学 2022-10-19 William Krinsman

We present a maximum entropy approach to analyze the internal dynamics of a small system in contact with a large bath e.g. a solute-solvent system. For the small solute, the fluctuations around the mean values of observables are not…

统计力学 · 物理学 2015-06-11 Purushottam D. Dixit

A molecular dynamics simulation of a Lennard-Jones fluid, and a trajectory of the B1 immunoglobulin G-binding domain of streptococcal protein G (B1-IgG) simulated in water are analyzed by recurrence quantification, which is noteworthy for…

Recurrence plots and their associated quantifiers provide a robust framework for detecting and characterising complex patterns in non-linear time-series. In this paper, we employ recurrence quantification analysis to investigate the…

种群与进化 · 定量生物学 2025-07-29 M. S. Palmero , M. Bongestab , N. Marwan

Analysis of a probabilistic system often requires to learn the joint probability distribution of its random variables. The computation of the exact distribution is usually an exhaustive precise analysis on all executions of the system. To…

信息论 · 计算机科学 2023-07-19 Fabrizio Biondi , Yusuke Kawamoto , Axel Legay , Louis-Marie Traonouez

The emergent dynamics of complex systems often arise from the internal dynamical interactions among different elements and hence is to be modeled using multiple variables that represent the different dynamical processes. When such systems…

混沌动力学 · 物理学 2024-11-05 Shivam Kumar , R. Misra , G. Ambika

In the present work we investigate phase correlations by recourse to the Shannon entropy. Using theoretical arguments we show that the entropy provides an accurate measure of phase correlations in any dynamical system, in particular when…

混沌动力学 · 物理学 2019-10-24 P. M. Cincotta , C. M. Giordano

We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyrosine and histidine, located at different positions on…

生物大分子 · 定量生物学 2017-08-04 Sayantan Mondal , Saumyak Mukherjee , Biman Bagchi

We study the behavior of a nonlinear semiclassical system using Shannon entropy and two approaches to statistical complexity. These systems involve the interaction between classical variables (representing the environment) and quantum ones.…

量子物理 · 物理学 2024-11-22 Gaspar Gonzalez , Andrés M. Kowalski

The growing study of time series, especially those related to nonlinear systems, has challenged the methodologies to characterize and classify dynamical structures of a signal. Here we conceive a new diagnostic tool for time series based on…

其他统计学 · 统计学 2017-07-05 G. Corso , T. L. Prado , G. Z. dos S. Lima , S. R. Lopes

This paper is about how we study statistical methods. As an example, it uses the random regressions model, in which the intercept and slope of cluster-specific regression lines are modeled as a bivariate random effect. Maximizing this…

其他统计学 · 统计学 2019-05-22 James S. Hodges

In order to inquire the microscopic origin of observed multiple time scales in solvation dynamics we carry out several computer experiments. We perform atomistic molecular dynamics simulations on three protein-water systems namely,…

软凝聚态物质 · 物理学 2017-10-18 Sayantan Mondal , Saumyak Mukherjee , Biman Bagchi

This work presents a systematic methodology for describing the transient dynamics of coarse-grained molecular systems inferred from all-atom simulated data. We suggest Langevin-type dynamics where the coarse-grained interaction potential…

数值分析 · 数学 2023-09-22 G. Baxevani , V. Harmandaris , E. Kalligiannaki , I. Tsantili

The aim of this review is to provide a concise overview of some of the generic approaches that have been developed to deal with the statistical description of large systems of interacting dissipative 'units'. The latter notion includes,…

统计力学 · 物理学 2017-03-08 Eric Bertin

Shannon Entropy is the preeminent tool for measuring the level of uncertainty (and conversely, information content) in a random variable. In the field of communications, entropy can be used to express the information content of given…

信息论 · 计算机科学 2024-11-06 Bill Kay , Audun Myers , Thad Boydston , Emily Ellwein , Cameron Mackenzie , Iliana Alvarez , Erik Lentz

Employing a long-wave mesoscopic hydrodynamic model for the film height evolution we study ensembles of pinned and sliding drops of a volatile liquid that continuously condense onto a chemically heterogeneous inclined substrate. Our…

流体动力学 · 物理学 2019-11-05 Sebastian Engelnkemper , Uwe Thiele

Jamming is a phenomenon shared by a wide variety of systems, such as granular materials, foams, and glasses in their high density regime. This has motivated the development of a theoretical framework capable of explaining many of their…

统计力学 · 物理学 2021-06-24 Rafael Díaz Hernández Rojas , Giorgio Parisi , Federico Ricci-Tersenghi

Different methods are used to determine the scaling exponents associated with a time series describing a complex dynamical process, such as those observed in geophysical systems. Many of these methods are based on the numerical evaluation…

地球物理 · 物理学 2007-05-23 Nicola Scafetta , Bruce J. West
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