基於幾何形狀分析的蛋白質接何研究

Abstract

在儀器進步下，愈來愈多的蛋白質結構被解釋出來，也提供了解其間作用與藥物設計的另一途徑。在我的論文中使用幾何形狀互補程度當接合評選的好壞，不考慮化學作用。首先對產生的蛋白質網格表面作形狀分析、分類，在所找出的互補表面上計算其曲率當作轉換座標的依據，轉換後再經一次ICP校準，套用形狀互補計分函數後，以突顯較好的接合結果。

More and more proteins structures are constructed in advanced equipments. It provides the path to understand reactions between proteins and structure drug design. In my thesis, first, analyzing the generating proteins meshes and calculating the classifying surfaces’ principal curvatures for two proteins coordinate transformation. Then doing ICP registration and applying shape complementary scoring function to show the better docking results.