蛋白质折叠二维HP模型中的关联条件及其应用

Interconnected Relations in 2D HP Model and Its Application

蛋白质折叠是生物信息学中的一个重要问题,因为蛋白质是生物功能的主要承载者,几乎所有的生物功能都与蛋白质有关。在本文中,我们主要讨论了二维HP模型下蛋白质折叠中疏水核的关联关系,并利用关联关系避免了在求解蛋白质链的空间结构时陷入能量局部最小值,有效地找出了蛋白质的最低能量,同时,利用关联关系去除了大量的无效构象,进而提高搜索构象的收敛速度。

Protein folding is an important problem in the bioinforrnatics because proteins are main carriers of biological function. Nearly all biological functions are related to proteins. In this article, the relationships of hydrophohie residues were discussed and applied to solve the structure of protein. The method took long-and short-rang rela- tions into consideration to and avoid energy local minimum, and effectively found the lowest energy of protein. At the same time, large amount of failure conformations were dislodged so that the speed of finding optimal structure could be improved.