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具有 Toric 稳定态的化学反应系统。

Chemical reaction systems with toric steady states.

机构信息

Dto. de Matemática, FCEN, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires, Argentina.

出版信息

Bull Math Biol. 2012 May;74(5):1027-65. doi: 10.1007/s11538-011-9685-x. Epub 2011 Oct 12.

Abstract

Mass-action chemical reaction systems are frequently used in computational biology. The corresponding polynomial dynamical systems are often large (consisting of tens or even hundreds of ordinary differential equations) and poorly parameterized (due to noisy measurement data and a small number of data points and repetitions). Therefore, it is often difficult to establish the existence of (positive) steady states or to determine whether more complicated phenomena such as multistationarity exist. If, however, the steady state ideal of the system is a binomial ideal, then we show that these questions can be answered easily. The focus of this work is on systems with this property, and we say that such systems have toric steady states. Our main result gives sufficient conditions for a chemical reaction system to have toric steady states. Furthermore, we analyze the capacity of such a system to exhibit positive steady states and multistationarity. Examples of systems with toric steady states include weakly-reversible zero-deficiency chemical reaction systems. An important application of our work concerns the networks that describe the multisite phosphorylation of a protein by a kinase/phosphatase pair in a sequential and distributive mechanism.

摘要

质量作用化学反应系统在计算生物学中经常被使用。相应的多项式动力系统通常很大(由数十个甚至数百个常微分方程组成),并且参数化程度很差(由于噪声测量数据以及数据点和重复次数较少)。因此,通常难以确定(正)稳态的存在,或者确定是否存在更复杂的现象,例如多稳定性。然而,如果系统的稳态理想是二项式理想,那么我们可以证明这些问题可以很容易地回答。这项工作的重点是具有这种性质的系统,我们称这样的系统具有 Toric 稳态。我们的主要结果给出了化学反应系统具有 Toric 稳态的充分条件。此外,我们还分析了这样的系统表现出正稳态和多稳定性的能力。具有 Toric 稳态的系统的例子包括弱可逆零缺陷化学反应系统。我们工作的一个重要应用涉及描述激酶/磷酸酶对在顺序和分布式机制中对蛋白质进行多部位磷酸化的网络。

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