【作者】 曾卫华；

【导师】 黄文奇；

【作者基本信息】 华中科技大学 ， 计算机软件与理论， 2006， 硕士

【摘要】 蛋白质构形预测问题就是根据组成蛋白质的氨基酸序列来预测其空间折叠结构。蛋白质是一类重要的生物大分子,是生命活动的主要承担者。研究蛋白质的根本目的是要将天然蛋白质进行改造,或者设计非天然的新蛋白质以满足人类的需要。为了解决这个难题,在研究过程中,人们提出了许多简化模型。尽管如此,其相应的蛋白质结构预测问题仍然是具有NP难度的。因此,对其寻找有效的数学模型和高效可行的近似算法有着重要的理论价值和实际意义。拟物拟人方法是一种求解诸如NP问题和其它困难数学问题的方法。所谓拟物就是主动地向自然界学习解决问题的方法,即寻找与原始数学问题等价的物理世界并观察这个世界中物质运动的生动形象,然后从中得出启发并逐步形式化为算法以求解问题。拟人方法则是向人、向人类的各种社会经验学习解决问题的策略。拟物方法将原始问题落实为优化问题,而在用数学方法求解优化问题时,常常会碰到计算落入目标函数局部极小值陷阱的困境,如何从这种困境中逃逸出来。使得计算奔向前景更好的区域,拟物方法则无能为力,而应用拟人方法则可以设计出好的“跳出陷阱”的策略。根据国际上最新提出的蛋白质结构预测问题的三维欧氏空间的连续模型,找到了相应的物理模型,并形成了相应的拟物拟人算法,计算结果表明该模型及算法对蛋白质结构预测问题是可行并且有效的。更多还原

【Abstract】 Protein structure prediction problem is to predict the dimensional folding configurations from its amino acid sequence. Being a kind of important biological macromolecules, proteins undertake the majority of life activities. The ultimate purpose of studying proteins is to modify natural proteins or to design artificial proteins in order to meet the requirement of humans, In order to solve this difficult problem, in the course of studying, people have purposed many simplied models. Even so, its corresponding protein structure prediction algorithms in the problem still have NP degree of difficulty. Therefore, seeking to effective mathematics model and high-efficient and feasible algorithm has important theory value and actual meaning.The quasi-human method is learning from human beings and their rich social experiences for wisdom to solve problem. The quasi-physical method makes the original problem an optimization problem in mathematics. There is often the possibility of going to a local minimum of object function when solving the optimization problem mathematically. As for how to jump out of the trap of local minimum so that the calculation can head for a region with better prospects, the quasi-physical method is helpless. However, the quasi-human method can give us good strategies for jumping out of a trap of local minimum with the help of human beings’ behavior and experiences.According to the 3D Euclidean space model for protein structure prediction which is proposed in the international. A related physical model is found. At last, a related quasiphysical and anthropopathic algorithm is formulated.更多还原