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.
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