Construction of protein-structure prediction method based on liquid state theory

我们分析了蛋白质在水环境和非极性环境中的结构稳定性，从而揭示了它们之间的差异。在液态理论的基础上构建了这些蛋白质的自由能函数，并证明了它们的实用性。在使用典型的生物信息学技术生成许多候选结构后，我们选择了在水环境中为蛋白质提供自由能函数的结构：对几种蛋白质进行了测试，获得了有希望的结果。

We analyze the structural stabilities of proteins in aqueous and nonpolar environments, thus revealing their differences. Free-energy functions are constructed for these proteins on the basis of liquid-state theories and their usefulness is demonstrated. After generating a number of candidate structures using typical bioinformatics techniques, we select the structure giving the free-energy function for a protein in aqueous environment: Promising results are obtained for several proteins tested.