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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
Source PublicationORGANIC & BIOMOLECULAR CHEMISTRY
2012
DOI10.1039/c2ob25558h
Volume10Issue:26Pages:5049-5054
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Organic
WOS Research AreaChemistry
WOS KeywordASSEMBLING PEPTIDE NANOTUBES ; DRUG-DELIVERY ; MOLECULAR-DYNAMICS ; CONFORMATIONAL PROFILE ; HYDROGEN-BONDS ; DESIGN ; ION ; SIMULATIONS ; PHENYLALANINE ; ENERGETICS
AbstractWe 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.
Language英语
WOS IDWOS:000305191000007
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/138078
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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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