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Multiscale reaction-diffusion simulations with Smoldyn

机译:用Smoldyn进行多尺度反应扩散模拟

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摘要

Smoldyn is a software package for stochastic modelling of spatial biochemical networks and intracellular systems. It was originally developed with an accurate off-lattice particle-based model at its core. This has recently been enhanced with the addition of a computationally efficient on-lattice model, which can be run stand-alone or coupled together for multiscale simulations using both models in regions where they are most required, increasing the applicability of Smoldyn to larger molecule numbers and spatial domains. Simulations can switch between models with only small additions to their configuration file, enabling users with existing Smoldyn configuration files to run the new on-lattice model with any reaction, species or surface descriptions they might already have.
机译:Smoldyn是用于对空间生化网络和细胞内系统进行随机建模的软件包。它最初是使用精确的基于非晶格粒子的模型开发的。最近,通过添加计算效率高的晶格模型对此功能进行了增强,该模型可以独立运行,也可以结合在一起使用,在最需要的区域使用两种模型进行多尺度模拟,从而提高了Smoldyn在更大分子数上的适用性和空间领域。模拟可以在模型中切换,而只需在配置文件中添加少量内容即可,从而使拥有现有Smoldyn配置文件的用户可以运行具有其可能已有的任何反应,物种或表面描述的新的晶格模型。

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