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A two-variable model for stochastic modelling of chemical events with multi-step reactions

机译:具有多步反应的化学事件随机建模的两变量模型

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The development of simple mathematical model for representing complicated real-life chemical reaction systems has been a fundamental issue in computational biology and bioinformatics. In particular, the accurate description of chemical events with multi-step chemical reactions has been regarded as an essential problem in chemistry and biophysics. To model chemical reaction systems in a manageable way, multi-step chemical reactions were normally simplified into a one-step reaction. In recent years, a number of modelling approaches have been attempted to use simplified model to describe multi-step chemical reactions accurately. In this work, we proposed a two-variable model to describe chemical events with multi-step chemical reactions. We introduced a new concept to represent the location of molecules in the multi-step reactions, and use it as the second indicator of the system dynamics. The accuracy of the proposed new model was evaluated via using a deterministic model. The proposed model has been applied to study the mRNA degradation process. Numerical simulations of the designed simplified models matched the simulations of multi-step chemical reactions very well.
机译:用于表示复杂的现实生活中的化学反应系统的简单数学模型的开发一直是计算生物学和生物信息学的基本问题。特别地,具有多步化学反应的化学事件的准确描述已经被认为是化学和生物物理学中的基本问题。为了以可管理的方式对化学反应系统进行建模,通常将多步化学反应简化为一步反应。近年来,尝试了多种建模方法来使用简化模型来准确描述多步化学反应。在这项工作中,我们提出了一个两变量模型来描述具有多步化学反应的化学事件。我们引入了一个新概念来表示分子在多步反应中的位置,并将其用作系统动力学的第二个指标。通过使用确定性模型评估提出的新模型的准确性。所提出的模型已经被用于研究mRNA的降解过程。设计的简化模型的数值模拟与多步化学反应的模拟非常匹配。

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