论文标题

生化反应系统中的几何和对称性

Geometry and symmetry in biochemical reaction systems

论文作者

Mulas, Raffaella, Sánchez-García, Rubén J., MacArthur, Ben D.

论文摘要

细胞内生化反应的复杂系统在调节细胞身份和功能中具有核心作用。通常使用图理论的语言和工具研究生化反应系统。但是,图表示仅描述了分子物种之间的成对相互作用,因此不太适合建模可能涉及大量反应物和/或产物的复杂反应集。在这里,我们利用了最近开发的化学反应的超图理论,该理论自然允许高阶相互作用探索生化反应系统中的几何形状并量化功能冗余。我们的结果构成了定向超图的自动形态学的一般理论,并描述了自图群结构对超图拉普拉斯光谱的影响。

Complex systems of intracellular biochemical reactions have a central role in regulating cell identities and functions. Biochemical reaction systems are typically studied using the language and tools of graph theory. However, graph representations only describe pairwise interactions between molecular species, and so are not well suited to modelling complex sets of reactions that may involve numerous reactants and/or products. Here we make use of a recently-developed hypergraph theory of chemical reactions that naturally allows for higher-order interactions to explore the geometry and quantify functional redundancy in biochemical reactions systems. Our results constitute a general theory of automorphisms for oriented hypergraphs and describe the effect of automorphism group structure on hypergraph Laplacian spectra.

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