Study of native conformations and thermodynamic properties of two-dimensional HP compact polymers
文献类型：期刊论文
| 作者 | Zhang, LX; Jin, JS; Wang, XH; Ye, GX; Zhao, DL |
| 刊名 | ACTA POLYMERICA SINICA
 |
| 出版日期 | 2002-08-01 |
| 期号 | 4页码:515-519 |
| 关键词 | Compact Polmyer Hp Model Enumeration Calculation Method Monte Carlo Method Folding |
| ISSN号 | 1000-3304 |
| 英文摘要 | The native conformations and thermodynamic properties of, compact polymers with chain length N (N less than or equal to 22) are investigated by using exact enumeration calculation method and Monte Carlo simulation method employing the HP model. The average Helmholtz free energy ( F) and average partition function (Z) can be expressed in the form of (F) = aN + b, ln (Z) = a'N where N is chain length of compact chains a, b and a', b' only depend on temperature.. We also find that the compact chains-with unique ground states have similar relationship in the thermodynamic property and the chain length. In the HP model, the number of sequences of conformations for a protein of chain length N is 2, and the number of sequences with unique ground state may be expressed as N-S: N-S = a x 2(N+1) ( a = 0.025). In these HP sequences, the sequences with 40% similar to 60% in the percentage of H residue have a large probability of emergence. We find that many structures are the same in those unique ground state, and the values of degeneration of structure are 3.3 - 4.0 (10 less than or equal to N less than or equal to 16) In - the processing of folding, the change of energy is fast in the beginning of folding, slow in the middle of floding and also fast in the end of folding of proteins. |
| 语种 | 英语 |
| WOS记录号 | WOS:000177636600021 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/78553]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, LX |
| 作者单位 | 1.Zhejiang Univ, Dept Phys, Hangzhou 310028, Peoples R China 2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Polymer Plasma Lab, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, LX,Jin, JS,Wang, XH,et al. Study of native conformations and thermodynamic properties of two-dimensional HP compact polymers[J]. ACTA POLYMERICA SINICA,2002(4):515-519. |
| APA | Zhang, LX,Jin, JS,Wang, XH,Ye, GX,&Zhao, DL.(2002).Study of native conformations and thermodynamic properties of two-dimensional HP compact polymers.ACTA POLYMERICA SINICA(4),515-519. |
| MLA | Zhang, LX,et al."Study of native conformations and thermodynamic properties of two-dimensional HP compact polymers".ACTA POLYMERICA SINICA .4(2002):515-519. |
入库方式： OAI收割
来源：化学研究所
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