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细胞代谢的随机模拟

Stochastic Simulation of Cellular Metabolism.

作者信息

Clement Emalie J, Schulze Thomas T, Soliman Ghada A, Wysocki Beata J, Davis Paul H, Wysocki Tadeusz A

机构信息

Department of Biology, University of Nebraska at Omaha, Omaha, Nebraska, USA.

Department of Pathology and Microbiology, University of Nebraska Medical Center, Omaha, Nebraska, USA.

出版信息

IEEE Access. 2020;8:79734-79744. doi: 10.1109/access.2020.2986833. Epub 2020 Apr 17.

Abstract

Increased technological methods have enabled the investigation of biology at nanoscale levels. Such systems require the use of computational methods to comprehend the complex interactions that occur. The dynamics of metabolic systems have been traditionally described utilizing differential equations without fully capturing the heterogeneity of biological systems. Stochastic modeling approaches have recently emerged with the capacity to incorporate the statistical properties of such systems. However, the processing of stochastic algorithms is a computationally intensive task with intrinsic limitations. Alternatively, the queueing theory approach, historically used in the evaluation of telecommunication networks, can significantly reduce the computational power required to generate simulated results while simultaneously reducing the expansion of errors. We present here the application of queueing theory to simulate stochastic metabolic networks with high efficiency. With the use of glycolysis as a well understood biological model, we demonstrate the power of the proposed modeling methods discussed herein. Furthermore, we describe the simulation and pharmacological inhibition of glycolysis to provide an example of modeling capabilities.

摘要

技术方法的进步使得在纳米尺度上对生物学进行研究成为可能。此类系统需要使用计算方法来理解所发生的复杂相互作用。代谢系统的动力学传统上是用微分方程来描述的,但未能充分捕捉生物系统的异质性。随机建模方法最近应运而生,能够纳入此类系统的统计特性。然而,随机算法的处理是一项计算密集型任务,存在内在局限性。另外,排队论方法历史上用于评估电信网络,它可以显著降低生成模拟结果所需的计算能力,同时减少误差的扩大。我们在此展示排队论在高效模拟随机代谢网络中的应用。通过使用糖酵解这一广为人知的生物学模型,我们证明了本文所讨论的建模方法的强大之处。此外,我们描述了糖酵解的模拟和药理抑制,以提供建模能力的一个示例。

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本文引用的文献

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The best models of metabolism.最佳代谢模型。
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IEEE Trans Nanobioscience. 2015 Jun;14(4):455-464. doi: 10.1109/TNB.2015.2392777. Epub 2015 Jan 23.
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Theoretical description of metabolism using queueing theory.运用排队论对新陈代谢进行理论描述。
Bull Math Biol. 2014 Sep;76(9):2238-48. doi: 10.1007/s11538-014-0004-1. Epub 2014 Aug 21.
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Order reduction of the chemical master equation via balanced realisation.通过平衡实现对化学主方程进行阶次约简。
PLoS One. 2014 Aug 14;9(8):e103521. doi: 10.1371/journal.pone.0103521. eCollection 2014.

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