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创建离子通道动力学的计算模型。

Creating Computational Models of Ion Channel Dynamics.

机构信息

Department of Biomedical Engineering, Washington University in St. Louis, St. Louis, MO, USA.

出版信息

Methods Mol Biol. 2024;2796:139-156. doi: 10.1007/978-1-0716-3818-7_9.

Abstract

Markov models are widely used to represent ion channel protein configurations as different states in the model's topology. Such models allow for dynamic simulation of ion channel kinetics through the simulated application of voltage potentials across a cell membrane. In this chapter, we present a general method for creating Markov models of ion channel kinetics using computational optimization alongside a fully featured example model of a cardiac potassium channel. Our methods cover designing training protocols, iteratively testing potential model topologies for structure identification, creation of algorithms for model simulation, as well as methods for assessing the quality of fit for a finalized model.

摘要

马尔可夫模型被广泛用于表示离子通道蛋白在模型拓扑结构中的不同状态。这些模型允许通过在细胞膜上施加模拟电压电位来动态模拟离子通道动力学。在本章中,我们提出了一种使用计算优化方法创建离子通道动力学马尔可夫模型的通用方法,并提供了一个心脏钾通道的全功能示例模型。我们的方法涵盖了设计训练协议、迭代测试潜在模型拓扑结构以进行结构识别、创建模型模拟算法以及评估最终模型拟合质量的方法。

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