Quasi-physical Algorithm for Protein Folding in an Off-Lattice Model  

作　　者：Lü Zhi-Peng HUANG Wen-Qi SHI He 

机构地区：[1]School of Computer Science and Technology, Huazhong University of Science and Technology, Wuhan 430074, China [2]Academy of Mathematics and Systems Sciences, the Chinese Academy of Sciences, Beijing 100080, China

出　　处：《Communications in Theoretical Physics》2007年第1期181-185,共5页理论物理通讯（英文版）

基　　金：The project partially supported by National Key Basic Research Project of China under Grant No. 2004GB318000 and National Natural Science Foundation of China under Grant No. 10471051

摘　　要：We study a three-dimensional off-lattice protein folding model, which involves two species of residues interacting through Lennard-Jones potentials. By incorporating an extra energy contribution into the original potential function, we replace the original constrained problem with an unconstrained minimization of a mixed potential function. As such an efficient quasi-physical algorithm for solving the protein folding problem is presented. We apply the proposed algorithm to sequences with up to 55 residues and compare the computational results with the putative lowest energy found by several of the most famous algorithms, showing the advantages of our method. The dynamic behavior of the quasi-physlcal algorithm is also discussed.

关 键 词：quasi-physical algorithm conjugate gradient method protein folding off-lattice model 

分 类 号：Q51[生物学—生物化学]