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Possible cage-like nanostructures formed by amino acids
Wang, Cui-hong1,2,3; Wu, Qi1; Fan, Wen-jie4; Zhang, Rui-qin1; Lin, Zijing2,5
刊名ORGANIC & BIOMOLECULAR CHEMISTRY
2012
DOI10.1039/c2ob25558h
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
关键词[WOS]ASSEMBLING PEPTIDE NANOTUBES ; DRUG-DELIVERY ; MOLECULAR-DYNAMICS ; CONFORMATIONAL PROFILE ; HYDROGEN-BONDS ; DESIGN ; ION ; SIMULATIONS ; PHENYLALANINE ; ENERGETICS
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.
语种英语
WOS记录号WOS:000305191000007
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被引频次:6[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138078
专题中国科学院大连化学物理研究所
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
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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.
APA Wang, Cui-hong,Wu, Qi,Fan, Wen-jie,Zhang, Rui-qin,&Lin, Zijing.(2012).Possible cage-like nanostructures formed by amino acids.ORGANIC & BIOMOLECULAR CHEMISTRY,10(26),5049-5054.
MLA Wang, Cui-hong,et al."Possible cage-like nanostructures formed by amino acids".ORGANIC & BIOMOLECULAR CHEMISTRY 10.26(2012):5049-5054.
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