蛋白质结构预测与机器学习

Protein Structure Prediction and Machine Learning

蛋白质是组成生物有机体的基本大分子之一,其三维结构完全由其氨基酸序列决定。从氨基酸序列直接确定蛋白质的结构,将有助于了解其结构与功能之间的关系。我们可以依据这种了解来对现存蛋白质进行结构改造,从而有目的地改变其功能。例如设计艾滋病病毒反转录蛋白酶抑制剂,就必须对该酶蛋白质的结构有相当了解。

Determining a protein's structure from its amino acid sequence would greatly help us understand which structure is responsible for what function. Recently, machine learning methods are used to induce prediction rules from the relatively few known structures, and the results are promising.