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GEPASI:一个用于对生化系统及其他系统的动力学、稳态和控制进行建模的软件包。

GEPASI: a software package for modelling the dynamics, steady states and control of biochemical and other systems.

作者信息

Mendes P

机构信息

Department of Biological Sciences, University of Wales, Aberystwyth, Dyfed, UK.

出版信息

Comput Appl Biosci. 1993 Oct;9(5):563-71. doi: 10.1093/bioinformatics/9.5.563.

DOI:10.1093/bioinformatics/9.5.563
PMID:8293329
Abstract

GEPASI is a software system for modelling chemical and biochemical reaction networks on computers running Microsoft Windows. For any system of up to 45 metabolites and 45 reactions, each with any user-defined or one of 35 predefined rate equations, one can produce trajectories of the metabolite concentrations and obtain a steady state (if it does exist). When steady-state solutions are produced, elasticity and control coefficients, as defined in metabolic control analysis, are calculated. GEPASI also allows the automatic generation of a sequence of simulations with different combinations of parameter values, effectively scanning a hyper-solid in parameter space. Together with the ability to produce user-defined columnar data files, these features allow for both very quick and systematic study of biochemical pathway models. The source code (in C) is available on request from the author, and while the user interface is dependent on having MS-Windows as the operating system, the numerical part is portable to other operating systems. GEPASI is suitable both for research and educational purposes. Although GEPASI was written with biochemical pathways in mind, it can equally be used to stimulate other dynamical systems.

摘要

GEPASI是一个用于在运行Microsoft Windows的计算机上对化学和生化反应网络进行建模的软件系统。对于任何包含多达45种代谢物和45个反应的系统,每个反应都具有任何用户定义的速率方程或35个预定义速率方程之一,用户可以生成代谢物浓度的轨迹并获得稳态(如果存在)。当生成稳态解时,会计算代谢控制分析中定义的弹性系数和控制系数。GEPASI还允许自动生成具有不同参数值组合的一系列模拟,从而有效地扫描参数空间中的超立方体。结合生成用户定义的柱状数据文件的能力,这些功能使得对生化途径模型进行非常快速且系统的研究成为可能。源代码(用C语言编写)可根据作者的要求提供,虽然用户界面依赖于以MS-Windows作为操作系统,但数值部分可移植到其他操作系统。GEPASI适用于研究和教育目的。尽管GEPASI的编写初衷是生化途径,但它同样可用于模拟其他动态系统。

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