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一种关于生化反应系统的持久性、永久性和内规立构性的计算方法。

A computational approach to persistence, permanence, and endotacticity of biochemical reaction systems.

作者信息

Johnston Matthew D, Pantea Casian, Donnell Pete

机构信息

Department of Mathematics, University of Wisconsin-Madison, Madison, WI, 53706, USA.

Department of Mathematics, West Virginia University, Morgantown, WV, 26506, USA.

出版信息

J Math Biol. 2016 Jan;72(1-2):467-98. doi: 10.1007/s00285-015-0892-1. Epub 2015 May 19.

Abstract

We introduce a mixed-integer linear programming (MILP) framework capable of determining whether a chemical reaction network possesses the property of being endotactic or strongly endotactic. The network property of being strongly endotactic is known to lead to persistence and permanence of chemical species under genetic kinetic assumptions, while the same result is conjectured but as yet unproved for general endotactic networks. The algorithms we present are the first capable of verifying endotacticity of chemical reaction networks for systems with greater than two constituent species. We implement the algorithms in the open-source online package CoNtRol and apply them to a large sample of networks from the European Bioinformatics Institute's BioModels Database. We use strong endotacticity to establish for the first time the permanence of a well-studied circadian clock mechanism.

摘要

我们引入了一个混合整数线性规划(MILP)框架,该框架能够确定一个化学反应网络是否具有内消旋或强内消旋的性质。已知强内消旋的网络性质会在基因动力学假设下导致化学物种的持续性和永久性,而对于一般的内消旋网络,同样的结果只是一种推测,尚未得到证明。我们提出的算法是首个能够验证具有两个以上组成物种的系统的化学反应网络内消旋性的算法。我们在开源在线软件包CoNtRol中实现了这些算法,并将它们应用于来自欧洲生物信息学研究所生物模型数据库的大量网络样本。我们首次利用强内消旋性确定了一个经过充分研究的昼夜节律时钟机制的永久性。

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