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使用云计算创建离子通道动力学模型。

Creating Ion Channel Kinetic Models Using Cloud Computing.

机构信息

Department of Biomedical Engineering, Washington University in St. Louis, St. Louis, Missouri.

Department of Medicine, Cardiovascular Division, Washington University School of Medicine, St. Louis, Missouri.

出版信息

Curr Protoc. 2022 Feb;2(2):e374. doi: 10.1002/cpz1.374.

Abstract

Computational modeling of ion channels provides key insight into experimental electrophysiology results and can be used to connect channel dynamics to emergent phenomena observed at the tissue and organ levels. However, creation of these models requires substantial mathematical and computational background. This tutorial seeks to lower the barrier to creating these models by providing an automated pipeline for creating Markov models of an ion channel kinetics dataset. We start by detailing how to encode sample voltage-clamp protocols and experimental data into the program and its implementation in a cloud computing environment. We guide the reader on how to build a containerized instance, push the machine image, and finally run the routine on cluster nodes. While providing open-source code has become more standard in computational studies, this tutorial provides unprecedented detail on the use of the program and the creation of channel models, starting from inputting the raw experimental data. © 2022 Wiley Periodicals LLC. Basic Protocol: Creation of ion channel kinetic models with a cloud computing environment Alternate Protocol: Instructions for use in a standard high-performance compute cluster.

摘要

离子通道的计算建模为实验电生理学结果提供了重要的见解,并且可以用于将通道动力学与在组织和器官水平上观察到的新兴现象联系起来。然而,创建这些模型需要大量的数学和计算背景。本教程旨在通过提供一种用于创建离子通道动力学数据集的马尔可夫模型的自动化管道来降低创建这些模型的门槛。我们首先详细介绍如何将示例电压钳制方案和实验数据编码到程序中,并在云计算环境中实现该程序。我们指导读者如何构建一个容器化实例,推送机器映像,最后在集群节点上运行例程。虽然在计算研究中提供开源代码已经变得更加标准,但本教程提供了有关该程序使用和通道模型创建的前所未有的详细信息,从输入原始实验数据开始。© 2022 Wiley Periodicals LLC. 基础方案:使用云计算环境创建离子通道动力学模型 备选方案:在标准高性能计算集群中的使用说明。

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A state-mutating genetic algorithm to design ion-channel models.一种用于设计离子通道模型的状态变异遗传算法。
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