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非格子模型的蛋白质设计方法

Keywords: 蛋白质设计,蛋白质逆折叠,相对熵

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Abstract:

为了克服双重蒙特卡罗方法用于较大分子体系及非格子模型的困难,提出了一个基于相对熵的蛋白质设计的简单方法.利用非格子模型,以16个处于天然稳定态的真实蛋白质为目标结构进行测试,成功率可达75.9%.与其他利用MonteCarlo方法搜索序列空间的方法相比,该方法更为快速有效,在很大程度上节省了对序列空间的搜索.

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