Theoretical study of the secondary structures of unionized   Poly(gamma-D-glutamic acid)

doi:10.1080/0026897042000274955

CORC > 北京大学 > 化学与分子工程学院

	Theoretical study of the secondary structures of unionized Poly(gamma-D-glutamic acid)
	Gao, Y ; Wu, YD
刊名	分子物理学
	2004
关键词	DENSITY-FUNCTIONAL THEORY BETA-PEPTIDE MODELS ALPHA-AMINOXY ACIDS GLUTAMIC ACID EXCITATION-ENERGIES HELIX FORMATION GAMMA-PEPTIDES TURN STRUCTURE APPROXIMATION HEXAPEPTIDE
DOI	10.1080/0026897042000274955
英文摘要	Poly(gamma-D-glutamic acid), 1, the only natural gamma-peptides, have many important biological functions. The secondary structures of a hexamer model of unionized gammaDPGA, 3, have been studied by a quantum mechanical method (B3LYP/6-31G), including the solvent effect using the SCIPCM model. Frequency calculations were carried out using the HF/6-31G method. Calculations indicate that a right-handed 19-helix is the most stable secondary structure. The calculated electronic circular dichroism spectrum of the right-handed 19-helix agrees with the experimental spectrum quite well, which further supports the above prediction. A right-handed 14-helical structure is also found to be quite stable in the gas phase.; Physics, Atomic, Molecular & Chemical; SCI(E); EI; 0; ARTICLE; 23-24; 2491-2498; 102
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/254238]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Gao, Y,Wu, YD. Theoretical study of the secondary structures of unionized Poly(gamma-D-glutamic acid)[J]. 分子物理学,2004.
APA	Gao, Y,&Wu, YD.(2004).Theoretical study of the secondary structures of unionized Poly(gamma-D-glutamic acid).分子物理学.
MLA	Gao, Y,et al."Theoretical study of the secondary structures of unionized Poly(gamma-D-glutamic acid)".分子物理学 (2004).