KMS Of Academy of mathematics and systems sciences, CAS
Quasi-physical algorithm for protein folding in an off-lattice model | |
Lu Zhi-Peng; Huang Wen-Qi; Shi He | |
2007 | |
发表期刊 | COMMUNICATIONS IN THEORETICAL PHYSICS |
ISSN | 0253-6102 |
卷号 | 47期号:1页码:181-185 |
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-physical algorithm is also discussed. |
关键词 | quasi-physical algorithm conjugate gradient method protein folding off-lattice model |
语种 | 英语 |
WOS研究方向 | Physics |
WOS类目 | Physics, Multidisciplinary |
WOS记录号 | WOS:000243764900034 |
出版者 | INTERNATIONAL ACADEMIC PUBLISHERS LIMITED |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.amss.ac.cn/handle/2S8OKBNM/4421 |
专题 | 中国科学院数学与系统科学研究院 |
通讯作者 | Lu Zhi-Peng |
作者单位 | 1.Huazhong Univ Sci & Technol, Sch Comp Sci & Technol, Wuhan 430074, Peoples R China 2.Chinese Acad Sci, Acad Math & Syst Sci, Beijing 100080, Peoples R China |
推荐引用方式 GB/T 7714 | Lu Zhi-Peng,Huang Wen-Qi,Shi He. Quasi-physical algorithm for protein folding in an off-lattice model[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2007,47(1):181-185. |
APA | Lu Zhi-Peng,Huang Wen-Qi,&Shi He.(2007).Quasi-physical algorithm for protein folding in an off-lattice model.COMMUNICATIONS IN THEORETICAL PHYSICS,47(1),181-185. |
MLA | Lu Zhi-Peng,et al."Quasi-physical algorithm for protein folding in an off-lattice model".COMMUNICATIONS IN THEORETICAL PHYSICS 47.1(2007):181-185. |
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