Radek Erban和S.Jonathan Chapman对反应-扩散过程的随机建模

P. Nelson
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引用次数: 0

摘要

随机模拟已成为科学工具包中不可或缺的工具。作为学生,我们都被告知,由于热运动,分子之间不断推挤,化学反应依赖于分子之间的偶然相遇。然而,我们中的大多数人都上了化学和物理课,在这些课上,注意力很快转移到了大量的分子上,在观察总体浓度时,这些分子固有的随机性被抹去了;然后,我们建立并求解了确定性速率方程。然而,细胞中的一些关键因子只出现在少数拷贝中(对于某些基因来说,可能只有一个拷贝)。此外,实验技术现在允许对单细胞甚至单分子进行常规研究,因此需要超越系综平均的相应分析工具,只是为了提取我们数据集中潜在的教训。我们大多数人还参加了在想象的“无井”条件下研究化学反应的课程,在化学反应不重要的情况下分别研究扩散。然而,神经递质的小泡在降解时必须穿过突触;形态发生素必须结合并激活受体,同时建立空间梯度;这本书的标题表达了作者的目标,即建立一个能够处理此类生物物理相关情况的框架。学生对这个话题很感兴趣。我自己的学生至少含蓄地意识到,即使是最简单的随机模拟的结果似乎也比确定性结果更“逼真”,而且随着拷贝数的增加,他们总是很兴奋地看到确定性行为的逐渐出现。不久前,我意识到随机模拟属于任何生物物理课程,从第一门入门课程开始,并在后期适当地重新出现。然而,要找到合适的课程材料并不容易。Erban和Chapman现在为我们提供了一个简洁、优雅、实用的数值方法调查,这些方法对此类分析很有用,尽管其水平略高于一年级课程。一名精通常微分方程、条件概率和相关数学的高级本科生-
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Stochastic Modelling of Reaction–Diffusion Processes by Radek Erban and S. Jonathan Chapman
Stochastic simulation has become an indispensable tool in the scientific toolkit. We were all told as students that molecules jostle one another incessantly because of thermal motion and that chemical reactions rely on the resulting chance encounters between molecules. However, most of us took chemistry and physics classes in which attention quickly shifted to vast collections of molecules, for which the inherent randomness washed out when viewing overall concentrations; we then formulated and solved deterministic rate equations. However, some key actors in cells appear in only a small number of copies (perhaps just one, for some genes). Moreover, experimental technique now allows routine study of single cells and even single molecules, so corresponding analytical tools that go beyond ensemble averaging are needed, just to extract the lessons that are latent in our datasets. Most of us also took classes in which chemical reactions were studied in imagined ‘‘well-stirred’’ conditions, and diffusion was studied separately in contexts where chemical reactions were not important. However, a vesicle of neurotransmitter must travel across a synapse while being degraded; a morphogen must bind and activate receptors while establishing a spatial gradient; and so on. This book’s title expresses the authors’ aim to establish a framework capable of handling biophysically relevant situations like these. Student interest in this topic is strong. My own students are at least implicitly aware that results from even the simplest stochastic simulation seem more ‘‘lifelike’’ than deterministic results, and they are always excited to see the gradual emergence of deterministic behavior as copy numbers get large. I realized some time ago that stochastic simulation belongs in any biophysics curriculum, starting from the very first introductory course and reappearing as appropriate at later stages. However, it was not so easy to find appropriate course materials. Erban and Chapman now give us a concise, elegant, and practical survey of numerical methods that are useful for such analyses, although at a level somewhat higher than first-year courses. An advanced undergraduate who is comfortable with ordinary differential equations and conditional probability and the associated mathemat-
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