A MODELING AND SIMULATION LANGUAGE FOR BIOLOGICAL CELLS WITH COUPLED MECHANICAL AND CHEMICAL PROCESSES.

Endre Somogyi, James A Glazier
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Abstract

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.

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具有耦合力学和化学过程的生物细胞的建模和仿真语言。
生物细胞是活性物质的典型例子。细胞通过一系列行为感知和响应机械、化学和电环境刺激,包括形态和机械特性的动态变化、化学吸收和分泌、细胞分化、增殖、死亡和迁移。这种动态现象的建模和模拟提出了许多计算挑战。描述细胞动力学的建模语言必须自然地表示复杂的细胞内和细胞外空间结构以及耦合的机械、化学和电子过程。领域专家会发现,当建模语言基于问题领域原生的概念、术语和原则时,它是最有用的。然后编译器必须能够从这个物理驱动的描述生成一个可执行的模型。最后,一个可执行的模型必须有效地计算这种动态和非均匀现象的时间演化。我们提出了一个空间混合系统建模语言、编译器和基于无网格拉格朗日的仿真引擎,这将使领域专家能够使用自然的、生物驱动的结构来定义模型,并模拟作用于时变数量的细胞及其环境的耦合细胞、机械和化学过程的时间演化。
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