Numerical Modelling of Ion Transport in 5-HT3 Serotonin Receptor Using Molecular Dynamics

机译：使用分子动力学数值模拟5-HT3 5-羟色胺受体中离子的迁移

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Cation selective ligand-gated ion channels axe pore-forming membrane proteins. They are responsible for generating of transmem-brane voltage and action potential, playing an important role in functioning of nervous systems. Mathematical modelling of transmembrane transport in membrane and membrane/protein structures using molecular dynamics (MD) method is often associated with difficulties, because it is nearly impossible to observe spontaneous diffusion in MD experiments. In this work Molecular Dynamics (MD) and Umbrella Sampling (US) methods are used to study ion transport through 5-HT3 Serotonin receptor.

机译：阳离子选择性配体门控离子通道和成孔膜蛋白。它们负责产生跨膜电压和动作电位，在神经系统的功能中起重要作用。使用分子动力学（MD）方法对膜和膜/蛋白质结构中的跨膜运输进行数学建模通常会遇到困难，因为在MD实验中几乎不可能观察到自发扩散。在这项工作中，使用了分子动力学（MD）和伞形采样（US）方法来研究离子通过5-HT3血清素受体的转运。

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《International conference on numerical analysis and its applications》|2017年|195-202|共8页
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M. Yu. Antonov; A.V. Popinako; G.A. Prokopiev; A.O. Vasilyev;
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Biophysics; Molecular dynamics; Biomembranes; Ion channels; Transmembrane transport; Serotonin receptor;

机译：生物物理学;分子动力学;生物膜;离子通道;跨膜运输;血清素受体;

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4. Numerical Modelling of Ion Transport in 5-HT3 Serotonin Receptor Using Molecular Dynamics [C] . M. Yu. Antonov, A. V. Popinako, G. A. Prokopiev, International Conference on Numerical Analysis and Applications . 2017

机译：使用分子动力学在5-HT3血清素受体中离子转运的数值模拟
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Numerical Modelling of Ion Transport in 5-HT3 Serotonin Receptor Using Molecular Dynamics

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