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研究生: 何昭慶
Ho, Chao-Ching
論文名稱: 改善蛋白質螺旋體之幾何特徵化方法
Improving the Geometric Characterization Methods of Protein Helices by Total Least Squares Analysis
指導教授: 王清正
Wang, Ching-Cheng
學位類別: 碩士
Master
系所名稱: 電機資訊學院 - 製造工程研究所
Institute of Manufacturing Engineering
論文出版年: 2004
畢業學年度: 92
語文別: 中文
論文頁數: 50
中文關鍵詞: 蛋白質螺旋體二級結構直交殘差最小平方法
外文關鍵詞: protein, secondary structure, total least squares analysis, helix
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  •   現有判讀蛋白質二級結構螺旋體中心軸幾何特徵的六種方法分別為parametric least-squares method, moment matrix, cylindrical fit, cross-product of triad bisector, rotational transformation method, and Helix Analysis﹙HELANAL﹚。但是除了HELANAL將蛋白質螺旋體中心軸分成直線、曲線和扭結型外,其他的都針對直線型作判斷。HELANAL應用最小平方法做統計分析,再藉以歸類該蛋白質螺旋體的類型。然而,其分析的結果並不獨立於選用的座標系統。鑑此,本研究將使用直交殘差最小平方法﹙total least squares analysis, TLS﹚改善現有方法的缺點,開發獨立於座標系統的蛋白質螺旋體幾何特徵判讀方法。我們並且比較TLS和HELANAL判讀的結果。

      Six methods, namely parametric least-squares method, moment matrix, cylindrical fit, cross-product of triad bisector, rotational transformation method, and helix analysis (HELANAL) , have been explored for geometric characterization of a protein helix. While HELANAL distinguishes among linear, curved, and kinked helix, all the other methods assume only linear ones. Unfortunately, HELANAL employs linear regression analysis making the results dependent of the coordinate system. For the remedy, we explore total least squares analysis (TLS) making results independent from the coordinate system. The thesis presents the TLS method with demonstration examples. TLS results are compared with those obtained by HELANAL.

    中文摘要 ............................................. Ⅰ 英文摘要 ..............................................II 誌謝 .................................................III 目錄...................................................IV 圖目錄.................................................VI 表目錄 ................................................VII 第一章 緒論…………………………………………………………… 1 1.1 研究動機與背景 ………………………………………………… 1 1.2 研究目的 ………………………………………………………… 2 1.3 重要性 …………………………………………………………… 3 第二章 文獻探討 ……………………………………………………… 4 2.1 蛋白質螺旋體結構的特性參數 ………………………………… 4 2.2 現有判讀螺旋體中心軸的方法 ………………………………… 7 第三章 獨立於座標系統的方法……………………………………… 12 3.1 直交殘差最小距離和之平面 …………………………………… 12 3.2 Homogenous Transform 轉軸 ……………………………………15 3.3 二維幾何特徵化 ………………………………………………… 17 3.4 演算流程 ………………………………………………………… 19 第四章 應用範例 ……………………………………………………… 20 4.1 TLS和HELANAL的結果比較 ……………………………………… 20 4.2 TLS方法之計算過程 …………………………………………… 23 4.3 空間座標軸轉變後判別結果的改變 …………………………… 28 第五章 結論…………………………………………………………… 38 5.1 結論與貢獻 ……………………………………………………… 38 5.2 未來發展與建議 ………………………………………………… 38 參考文獻 .………………………………………………………………… 39 附錄.……………………………………………………………………… 40 自述……………………………………………………………………… 50

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