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Gaining insights from realistic dynamical models of biochemical systems can be challenging given their large number of state variables. Model reduction techniques can mitigate this by decreasing complexity by mapping the model onto a…

计算工程、金融与科学 · 计算机科学 2024-11-22 Alexander Leguizamon-Robayo , Antonio Jiménez-Pastor , Micro Tribastone , Max Tschaikowski , Andrea Vandin

Stochastic models of chemical reaction networks are an important tool to describe and analyze noise effects in cell biology. When chemical species and reaction rates in a reaction system have different orders of magnitude, the associated…

概率论 · 数学 2020-09-15 German Enciso , Jinsu Kim

In this paper, we address the modeling issues of cell movement and division with a special focus on the phenomenon of volume exclusion in a lattice-based, exact stochastic simulation framework. We propose a new exact method, called Reduced…

种群与进化 · 定量生物学 2022-08-10 Peter Boldog

We introduce expandable partial propensity direct method (EPDM) - a new exact stochastic simulation algorithm suitable for systems involving many interacting molecular species. The algorithm is especially efficient for sparsely populated…

数据结构与算法 · 计算机科学 2016-10-05 Anton V. Bernatskiy , Elizaveta A. Guseva

It has recently been shown that structural conditions on the reaction network, rather than a 'fine-tuning' of system parameters, often suffice to impart 'absolute concentration robustness' on a wide class of biologically relevant,…

概率论 · 数学 2014-01-20 David F. Anderson , German Enciso , Matthew Johnston

The simulation of complex stochastic network dynamics arising, for instance, from models of coupled biomolecular processes remains computationally challenging. Often, the necessity to scan a models' dynamics over a large parameter space…

定量方法 · 定量生物学 2013-03-14 Tiago Ramalho , Marco Selig , Ulrich Gerland , Torsten A. Enßlin

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal…

分子网络 · 定量生物学 2015-07-07 De-Ming Deng , Cheng-Hung Chang

Simulation of biomolecular networks is now indispensable for studying biological systems, from small reaction networks to large ensembles of cells. Here we present a novel approach for stochastic simulation of networks embedded in the…

定量方法 · 定量生物学 2016-09-28 Margaritis Voliotis , Philipp Thomas , Ramon Grima , Clive G. Bowsher

Stochastic reaction networks are mathematical models with a wide range of applications in biochemistry, ecology, and epidemiology, and are often complex to analyze. Except for some special cases, it is generally difficult to predict how the…

概率论 · 数学 2026-04-02 Daniele Cappelletti , Giulio Cuniberti , Paola Siri

The quasi-steady state approximation and time-scale separation are commonly applied methods to simplify models of biochemical reaction networks based on ordinary differential equations (ODEs). The concentrations of the "fast" species are…

动力系统 · 数学 2016-05-10 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

This paper analyses of a stochastic model of a chemical reaction network with three types of chemical species ${\cal R}$, ${\cal M}$ and ${\cal U}$ that interact to transform a flow of external resources, the chemical species ${\cal Q}$, to…

概率论 · 数学 2025-12-01 Vincent Fromion , Philippe Robert , Jana Zaherddine

Biochemical reaction networks frequently consist of species evolving on multiple timescales. Stochastic simulations of such networks are often computationally challenging and therefore various methods have been developed to obtain sensible…

分子网络 · 定量生物学 2017-04-20 Jae Kyoung Kim , Grzegorz A. Rempala , Hye-Won Kang

Stochastic models of biochemical reaction networks are widely used to capture intrinsic noise in cellular systems. The typical formulation of these models are based on Markov processes for which there is extensive research on efficient…

分子网络 · 定量生物学 2025-12-03 Thomas P. Steele , David J. Warne

Reaction networks are systems in which the populations of a finite number of species evolve through predefined interactions. Such networks are found as modeling tools in many biological disciplines such as biochemistry, ecology,…

分子网络 · 定量生物学 2015-06-15 Ankit Gupta , Corentin Briat , Mustafa Khammash

We present a novel multiscale simulation approach for modeling stochasticity in chemical reaction networks. The approach seamlessly integrates exact-stochastic and "leaping" methodologies into a single "partitioned leaping" algorithmic…

化学物理 · 物理学 2009-11-11 Leonard A. Harris , Paulette Clancy

Motivation: Detailed mechanistic models of biological processes can pose significant challenges for analysis and parameter estimations due to the large number of equations used to track the dynamics of all distinct configurations in which…

分子网络 · 定量生物学 2020-12-16 Alexey Ovchinnikov , Isabel Cristina Pérez Verona , Gleb Pogudin , Mirco Tribastone

Reaction networks in the bulk and on surfaces are widespread in physical, chemical and biological systems. In macroscopic systems, which include large populations of reactive species, stochastic fluctuations are negligible and the reaction…

统计力学 · 物理学 2007-10-12 Baruch Barzel , Ofer Biham , Raz Kupferman

A reaction network is a chemical system involving multiple reactions and chemical species. Stochastic models of such networks treat the system as a continuous time Markov chain on the number of molecules of each species with reactions as…

概率论 · 数学 2007-05-23 Karen Ball , Thomas G. Kurtz , Lea Popovic , Greg Rempala

The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…

计算复杂性 · 计算机科学 2009-01-28 David Soloveichik

The model of chemical reaction networks is among the oldest and most widely studied and used in natural science. The model describes reactions among abstract chemical species, for instance $A + B \to C$, which indicates that if a molecule…

数据结构与算法 · 计算机科学 2026-02-16 Joshua Petrack , David Doty
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