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研究生:朱席賢
研究生(外文):Chu, Hsi-Hsien
論文名稱:泊松-費米理論模擬超離子態於鉀離子通道KcsA
論文名稱(外文):Poisson - Fermi Simulations of Superionic State in Potassium Channel KcsA
指導教授:劉晉良劉晉良引用關係
指導教授(外文):Liu, Jinn-Liang
口試委員:陳仁純陳人豪
口試委員(外文):Chen, Ren-ChuenChen, Jen-Hao
口試日期:2018-06-08
學位類別:碩士
校院名稱:國立清華大學
系所名稱:應用數學系所
學門:數學及統計學門
學類:數學學類
論文種類:學術論文
論文出版年:2018
畢業學年度:106
語文別:英文
論文頁數:17
中文關鍵詞:鉀離子通道超離子狀態泊松-費米模型
外文關鍵詞:KcsAsuperionic statePoisson-Fermi model
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自從生物學進化以來,離子通道是一種非常精妙的設計,而超離子狀態
是非常有效率的狀態。因此,我們希望將兩者結合起來,並希望測試超離
子狀態是否會出現在常見的離子通道中。在這個實驗中,我們選擇鉀通道
KcsA,僅取通道中每個原子的相對位置,我們將手動調節通道寬度(等倍
放大)、離子通道之原子攜帶的電荷和鹽(KCl)濃度。在文章中,我們使
用Poisson-Fermi 模型來模擬通道中的離子,並在該模型中將重新溶劑化
自由能添加到自由能中,以便可以組合兩個參考實驗模型。最後,觀察通
道中各個位置的空間位勢S^trc ,觀察是否有出現跳階的現象。
Since the evolution of biology, the ion channel is a very subtle design, and the superionic state is very effective. Therefore, we want to combine the two and want to test whether superionic states will appear in common ion channels. In this experiment we chose the potassium channel KcsA, taking only the relative position of each atom of the channel, and we will manually adjust the channel width (equal magnification), the charge carried by the atoms in the channel and the salt (KCl) concentration. In the article we
use Poisson-Fermi’s model to simulate the ion in the channel and add the re-solvation free energy to the free energy in this model, so that the two reference experimental models can be combined. Finally, observe the steric potential S^trc of each position in the channel, to see if there is a jump.
1 Introduction 1
2 The structure of KcsA 2
3 Poisson-Fermi model 4
4 Numerical results 10
5 Summary 15
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