阐明生物网络中结合统计与香农信息之间的联系

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2024-09-28 DOI:10.1063/5.0226904
Kinshuk Banerjee, Biswajit Das
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引用次数: 0

摘要

生物网络对配体结合的反应对于各种细胞生物物理过程的调控至关重要,而这种调控是通过这种网络的不同配体结合状态实现信息传递的。在这项研究中,我们探讨了此类网络状态的信息含量与实验可测量的结合统计量之间的联系这一重要问题。为此,我们采用化学主方程的方法,考虑了几种配体合作结合的基本网络,这些网络的结合态在时间上是相邻的,在空间和时间上也是相邻的。为了用信息语言表达结合特征,我们采用了基于香农信息的微分信息指数。为整个网络确定的该指数与(对数)配体浓度呈线性关系,斜率等于系统的大小。另一方面,与单个网络状态相关的香农信息变化及其斜率的对数灵敏度分别具有与平均结合数和方差相关的通用形式,后者产生希尔斜率,即合作性的现象学度量。此外,香农信息熵(即香农信息的平均值)的变化也与平均结合力有关。
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Elucidating the link between binding statistics and Shannon information in biological networks.

The response of a biological network to ligand binding is of crucial importance for regulatory control in various cellular biophysical processes that is achieved with information transmission through the different ligand-bound states of such networks. In this work, we address a vital issue regarding the link between the information content of such network states and the experimentally measurable binding statistics. Several fundamental networks of cooperative ligand binding, with the bound states being adjacent in time only and in both space and time, are considered for this purpose using the chemical master equation approach. To express the binding characteristics in the language of information, a quantity denoted as differential information index is employed based on the Shannon information. The index, determined for the whole network, follows a linear relationship with (logarithmic) ligand concentration with a slope equal to the size of the system. On the other hand, the variation of Shannon information associated with the individual network states and the logarithmic sensitivity of its slope are shown to have generic forms related to the average binding number and variance, respectively, the latter yielding the Hill slope, the phenomenological measure of cooperativity. Furthermore, the variation of Shannon information entropy, the average of Shannon information, is also shown to be related to the average binding.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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