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There exist several methods for simulating biological and physical systems as represented by chemical reaction networks. Systems with low numbers of particles are frequently modelled as discrete-state Markov jump processes and are typically…

定量方法 · 定量生物学 2022-10-24 Joshua C. Kynaston , Christian A Yates , Anna Hekkink , Chris Guiver

Single-cell data reveal the presence of biological stochasticity between cells of identical genome and environment, in particular highlighting the transcriptional bursting phenomenon. To account for this property, gene expression may be…

分子网络 · 定量生物学 2026-05-19 Mathilde Gaillard , Ulysse Herbach

We consider the problem of efficiently simulating stochastic models of chemical kinetics. The Gillespie Stochastic Simulation algorithm (SSA) is often used to simulate these models, however, in many scenarios of interest, the computational…

分子网络 · 定量生物学 2024-07-10 Thomas Trigo Trindade , Konstantinos C. Zygalakis

At the cellular scale, biochemical processes are governed by random interactions between reactant molecules with small copy counts, leading to behavior that is inherently stochastic. Such systems are often modeled as continuous-time Markov…

数据结构与算法 · 计算机科学 2015-09-02 Kevin R. Sanft , Hans G. Othmer

In biochemical systems some of the chemical species are present with only small numbers of molecules. In this situation discrete and stochastic simulation approaches are more relevant than continuous and deterministic ones. The fundamental…

计算工程、金融与科学 · 计算机科学 2013-03-18 Tae-Hyuk Ahn , Adrian Sandu , Xiaoying Han

A variety of simulation methodologies have been used for modeling reaction-diffusion dynamics -- including approaches based on Differential Equations (DE), the Stochastic Simulation Algorithm (SSA), Brownian Dynamics (BD), Green's Function…

化学物理 · 物理学 2021-05-21 Marcus Thomas , Russell Schwartz

Discrete-state, continuous-time Markov models are becoming commonplace in the modelling of biochemical processes. The mathematical formulations that such models lead to are opaque, and, due to their complexity, are often considered…

定量方法 · 定量生物学 2017-10-31 Christopher Lester

Models invoking the chemical master equation are used in many areas of science, and, hence, their simulation is of interest to many researchers. The complexity of the problems at hand often requires considerable computational power, so a…

生物物理 · 物理学 2016-03-02 Fabian Spill , Philip K. Maini , Helen Byrne

Biochemical reactions can happen on different time scales and also the abundance of species in these reactions can be very different from each other. Classical approaches, such as deterministic or stochastic approach, fail to account for or…

定量方法 · 定量生物学 2014-09-16 Arnab Ganguly , Derya Altintan , Heinz Koeppl

The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

统计理论 · 数学 2007-06-13 Sergey Plyasunov

We consider the problem of efficiently performing simulation and inference for stochastic kinetic models. Whilst it is possible to work directly with the resulting Markov jump process, computational cost can be prohibitive for networks of…

统计计算 · 统计学 2015-06-18 Chris Sherlock , Andrew Golightly , Colin Gillespie

A practical introduction to stochastic modelling of reaction-diffusion processes is presented. No prior knowledge of stochastic simulations is assumed. The methods are explained using illustrative examples. The article starts with the…

亚细胞过程 · 定量生物学 2007-11-19 Radek Erban , Jonathan Chapman , Philip Maini

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…

定量方法 · 定量生物学 2017-01-13 David Schnoerr , Guido Sanguinetti , Ramon Grima

Discrete-state, continuous-time Markov models are widely used in the modeling of biochemical reaction networks. Their complexity often precludes analytic solution, and we rely on stochastic simulation algorithms to estimate system…

定量方法 · 定量生物学 2016-05-20 Christopher Lester , Christian A. Yates , Michael B. Giles , Ruth E. Baker

Comprehensive simulations of the entire biochemistry of cells have great potential to help physicians treat disease and help engineers design biological machines. But such simulations must model networks of millions of molecular species and…

分子网络 · 定量生物学 2020-05-22 Arthur P. Goldberg , David R. Jefferson , John A. P. Sekar , Jonathan R. Karr

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing…

定量方法 · 定量生物学 2016-04-29 Jonathan U. Harrison , Christian A. Yates

The stochastic simulation algorithm commonly known as Gillespie's algorithm is now used ubiquitously in the modelling of biological processes in which stochastic effects play an important role. In well-mixed scenarios at the sub-cellular…

定量方法 · 定量生物学 2019-07-23 Christian A Yates , Matthew J Ford , Richard L Mort

The M{\O}D computational framework implements rule-based generative chemistries as explicit transformations of graphs representing chemical structural formulae. Here, we expand M{\O}D by a stochastic simulation module that simulates the…

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

数值分析 · 数学 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

Stochastic effect in cellular systems has been an important topic in systems biology. Stochastic modeling and simulation methods are important tools to study stochastic effect. Given the low efficiency of stochastic simulation algorithms,…

数值分析 · 数学 2016-03-29 Shuo Wang , Yang Pu , Layne Watson , Yang Cao
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