鈣離子通道是在許多生物機能上扮演重要的角色。本研究使用CaVAb channel 的資料。雖然我們只研究選擇性的那個區域但仍然模擬整個離子通道。首先用兩種不同的軟體來觀察，並比較兩軟體。然後用PNPF 理論模型來分析此離子結合的構造，並得到相關的數值模擬結果。

Calcium channels play an important role in many biological functions. This thesis considers the CaVAb channel constructed via the homotetrameric bacterial NaV channel NaVAb by Tang et al. in 2014 [9]. Although we only focus on the selectivity part of the channel, numerical simulations have been performed in the entire channel with intra- and extracellular baths. We start by using two different softwares to observe channel and compare the two softwares. Then we use the PNPF Model to analyze the structure of the ion binding and produce numerical results.

1 Introduction...1
2 The software tool (VMD and CAVER)...2
3 Poisson-Nernst-Planck-Fermi model...5
4 CaVAb channel structure and numerical results...10
4.1 CaVAb channel...16
5 Summary...22
References...23

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