中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Molecular dynamics simulation of thermodynamical properties of copper clusters

文献类型:期刊论文

作者Wu, ZM ; Wang, XQ ; Yang, YY
刊名CHINESE PHYSICS
出版日期2007
卷号16期号:2页码:405
关键词EMBEDDED-ATOM METHOD GOLD NANOCLUSTERS SOLID CLUSTERS MELTING-POINT LIQUID SIZE MODEL TRANSITION STABILITY METALS
ISSN号1009-1963
通讯作者Wu, ZM: Chongqing Univ, Coll Sci, Dept Phys, Chongqing 400044, Peoples R China.
中文摘要One of the long-standing controversial arguments in protein folding is Levinthal's paradox. We have recently proposed a new nucleation hypothesis and shown that the nucleation residues are the most conserved sequences in protein. To avoid the complicated effect of tertiary interactions, we limit our search for structural codes to the nucleation residues. Starting with the hypotheses of secondary structure nucleation and conservation of residues important for folding, we have analysed 762 folds classified as unique by SCOP. Segments of 17 residues around the top 20% conserved amino acids are analysed, resulting in approximately 100 clusters each for the main secondary structure classes of helix, sheet and coil. Helical clusters have the longest correlation range, coils the shortest (four residues). Strong specific sequence-structure correlation is observed for coil but not for helix and sheet, suggesting a mapping relationship between the sequence and the structure for coil. We propose that the central sequences in these clusters form structural codes', a useful basis set for identifying nucleation sites, protein fragments stable in isolation, and secondary structural patterns in proteins (particularly turns and loops).
收录类别SCI
语种英语
公开日期2013-09-18
源URL[http://ir.iphy.ac.cn/handle/311004/42257]  
专题物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式
GB/T 7714
Wu, ZM,Wang, XQ,Yang, YY. Molecular dynamics simulation of thermodynamical properties of copper clusters[J]. CHINESE PHYSICS,2007,16(2):405.
APA Wu, ZM,Wang, XQ,&Yang, YY.(2007).Molecular dynamics simulation of thermodynamical properties of copper clusters.CHINESE PHYSICS,16(2),405.
MLA Wu, ZM,et al."Molecular dynamics simulation of thermodynamical properties of copper clusters".CHINESE PHYSICS 16.2(2007):405.

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来源:物理研究所

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