预测蛋白质三维结构的拟物算法

预测蛋白质三维结构的拟物算法 An Quasiphysical Algorithm for 3D Protein Structure Prediction 黄文奇 HUANG Wen-qi~1 1 2 3 first-author 黄勤波 HUANG Qin-bo~1 1 2 3 石赫 SHI He~2 1 2 3 华中科技大学计算机科学与技术学院 华中科技大学计算机科学与技术学院 School of Computer Science and Technology, Huazhong University of Science and Technology School of Computer Science and Technology, Huazhong University of Science and Technology 中国科学院数学与系统科学研究院,湖北,武汉,430074 中国科学院数学与系统科学研究院,湖北,武汉,430074 Academy of Mathematics and Systems Science, Chinese Academy of Sciences Academy of Mathematics and Systems Science, Chinese Academy of Sciences ,北京,100080 ,北京,100080 研究了生物信息学中的一个重要问题,即蛋白质结构预测.并受物理世界的物体间相互作用的规律的启发,给出了该问题一个三维欧氏空间连续模型,它比离散模型有一定的优越性,使计算很自然地利用到了一个客观存在的"天然导引",这个"天然导引"即是疏水氨基酸之间的引力,然后根据这个连续模型找到了相应的拟物算法,最后还给出了实验结果,结果也证明了这个拟物算法在计算速度方面的优越性. An important problem in biology informatics is researched in this paper,that is, protein structure prediction. We are enlightened by the law of reciprocity among things in the physics world and give a continuous model in 3D Euclidean space, which gain an advantage over the discretion model in some aspects. The continuous model’s strongpoint is that it utilizes the gravitation among hydrophobe amino acid. Then, a related quasiphysical algorithm is formulated according to the 3D continuous model. At last we give some experiment results which also proves the advantage of the quasiphysical algorithm in compute rapidity. 蛋白质结构预测 NP难度问题 折叠 拟物算法 引力势能 protein structure prediction NP-hard problem folding quasiphysical algorithm attraction potential energy Q51 国家973计划资助项目（G1998030600）;湖北省咸宁市白云山林场开发基金资助项目 2004-05-01 2021-04-01 5