ICCAS OpenIR
Study of native conformations and thermodynamic properties of two-dimensional HP compact polymers
Zhang, LX; Jin, JS; Wang, XH; Ye, GX; Zhao, DL
2002-08-01
Source PublicationACTA POLYMERICA SINICA
ISSN1000-3304
Issue4Pages:515-519
AbstractThe 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.
KeywordCompact Polmyer Hp Model Enumeration Calculation Method Monte Carlo Method Folding
Indexed BySCI
Language英语
WOS IDWOS:000177636600021
PublisherSCIENCE CHINA PRESS
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/78554
Collection中国科学院化学研究所
Corresponding AuthorZhang, LX
Affiliation1.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
Recommended Citation
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.
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