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生化反应系统的加速t-Leap模拟算法

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  • 上海大学数学系,上海200444
王翼飞,教授,博导,研究方向:计算分子生物学,E-mail: yifei_wang@staff.shu.edu.cn

收稿日期: 2010-10-07

  修回日期: 2011-01-12

  网络出版日期: 2011-03-23

基金资助

国家自然科学基金(No.30971480);国家科技重大专项基金(No.2009ZX09103-686);上海市教委重点学科建设项目基金(No.J50101);上海市重点学科建设项目基金(No.S30104)资助

The Accelerated ?-Leap Simulation Method for Biochemical Reaction Systems

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  • Department of Mathematics, Shanghai University, Shanghai 200444, China
王翼飞,教授,博导,研究方向:计算分子生物学,E-mail: yifei_wang@staff.shu.edu.cn

Received date: 2010-10-07

  Revised date: 2011-01-12

  Online published: 2011-03-23

Supported by

国家自然科学基金(No.30971480);国家科技重大专项基金(No.2009ZX09103-686);上海市教委重点学科建设项目基金(No.J50101);上海市重点学科建设项目基金(No.S30104)资助

摘要

该文重新定义了临界反应,以更合理地界定可能出现负分子组分的反应. 在此基础上提出了加速? -leap算法,使系统中某些反应物数目较少时也可以采用? -leap方法进行模拟,同时提高了模拟速度. 以两个生化反应系统模型为例,分别用精确的随机模拟算法、修正? -leap算法和加速? -leap算法进行模拟运算,结果表明加速? -leap算法在保证精度的同时能有效提高模拟速度.

本文引用格式

衣娜, 庄刚, 王翼飞 . 生化反应系统的加速t-Leap模拟算法[J]. 应用科学学报, 2011 , 29(2) : 203 -208 . DOI: 10.3969/j.issn.0255-8297.2011.02.014

Abstract

This paper redefines critical reaction. It is more reasonable to demarcate reactions which may have negative reactants. Based on the definition, the accelerated ? -leap algorithm is proposed. Even if the number of some species in biochemical systems is small, the ? -leap algorithm is adaptive. This algorithm also increases the speed of simulation. The accurate stochastic simulation algorithm (SSA) algorithm, an improved ? -leap algorithm and the present accelerated algorithm are compared in two biochemical reaction models. Numerical results demonstrate that the proposed method is faster under the same simulation precision.

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