Researching on Brownian Dynamics of Potassium Ion Channel
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摘要: 结合钾离子通道的三维精细结构，从第一性原理出发，在充分考虑电子相互作用的基础上，采用密度泛函方法计算得到了钾通道的位能曲线；以此作为钾通道布朗动力学模型的力场参数，应用布朗动力学方法研究了钾离子通道的动力学特征，得到了一些有益的结果。In the paper, based on the first principle and the X-ray structure of the potassium ion channel, the potential curve is calculated by the density functional theory. And forced by the potential, the dynamical properties of K channels are also studied.Abstract: In the paper, based on the first principle and the X-ray structure of the potassium ion channel, the potential curve is calculated by the density functional theory. And forced by the potential, the dynamical properties of K channels are also studied.
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Key words:
- potassium ion channel /
- Brownian dynamics /
- density functional theory
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