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题名: Possible cage-like nanostructures formed by amino acids
作者: Wang, Cui-hong1, 2, 3;  Wu, Qi1;  Fan, Wen-jie4;  Zhang, Rui-qin1;  Lin, Zijing2, 5
刊名: ORGANIC & BIOMOLECULAR CHEMISTRY
发表日期: 2012
DOI: 10.1039/c2ob25558h
卷: 10, 期:26, 页:5049-5054
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Organic
研究领域[WOS]: Chemistry
英文摘要: We report possible cage-like nanostructures formed by a representative amino acid, serine octamers and decamers, determined by binding energy calculations and molecular dynamic simulations using the density functional tight-binding method. We used the L-handed serine to construct complex conformers linked by hydrogen bonds. We found the structures linked by -COOH center dot center dot center dot O=C- to be the most stable conformers and the calculation of the vibrational modes of complexes further illustrated this result. We attempted to apply our cage-like structures to the delivery of C-20 and cycloserine as model molecules. Our results may shed light on the design of cage-like biocompatible complexes for drug delivery.
关键词[WOS]: ASSEMBLING PEPTIDE NANOTUBES ;  DRUG-DELIVERY ;  MOLECULAR-DYNAMICS ;  CONFORMATIONAL PROFILE ;  HYDROGEN-BONDS ;  DESIGN ;  ION ;  SIMULATIONS ;  PHENYLALANINE ;  ENERGETICS
语种: 英语
WOS记录号: WOS:000305191000007
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138078
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China
2.Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
3.USTC CityU Joint Adv Res Ctr, Suzhou 215123, Peoples R China
4.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol Dynam, Dalian 116023, Peoples R China
5.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China

Recommended Citation:
Wang, Cui-hong,Wu, Qi,Fan, Wen-jie,et al. Possible cage-like nanostructures formed by amino acids[J]. ORGANIC & BIOMOLECULAR CHEMISTRY,2012,10(26):5049-5054.
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