Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study

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	Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study
	Ma, Ke-Sheng 1,2; You, Jin-Mao 1,2; Zhou, Zheng-Yu 1,2; Su, Chun-Fang 2; Wang, Xiang-Xiang 2
	2010-06-01
发表期刊	INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN	0020-7608
卷号	110 期号:7 页码:1425-1431
文章类型	Article
摘要	Various possible structures of adenine-uracil-formamide hydrogenbond complexes were optimized at 6-311+ +G(d,p) level, and the binding energies of these complexes were also calculated at DFT B3LYP/6-311++G(d,p) level. Eight stable cyclic structures being involved in the interaction are found on the potential energy surface. By analyzing the structure, NPA charge and interaction energy of complexes, we obtain the most stable geometry structure. The results show that the interactions between formamide and adenine-uracil (A-U) base pair affect the stabilities of the base pairs. (C) 2009 Wiley Periodicals, Inc. Int I Quantum Chem 110: 1425-1431, 2010; Various possible structures of adenine-uracil-formamide hydrogenbond complexes were optimized at 6-311+ +G(d,p) level, and the binding energies of these complexes were also calculated at DFT B3LYP/6-311++G(d,p) level. Eight stable cyclic structures being involved in the interaction are found on the potential energy surface. By analyzing the structure, NPA charge and interaction energy of complexes, we obtain the most stable geometry structure. The results show that the interactions between formamide and adenine-uracil (A-U) base pair affect the stabilities of the base pairs. (C) 2009 Wiley Periodicals, Inc. Int I Quantum Chem 110: 1425-1431, 2010
关键词	Hydrogen Bonding Density-functional Theory Formamide Adenine-uracil
WOS标题词	Science & Technology ; Physical Sciences
关键词[WOS]	HYDROGEN-BONDING INTERACTION ; 1/1 COMPLEXES ; MICROWAVE SPECTRUM ; PROTON-TRANSFER ; AB-INITIO ; WATER ; SYSTEMS ; SOLVENT
收录类别	SCI
语种	英语
WOS研究方向	Chemistry ; Mathematics ; Physics
WOS类目	Chemistry, Physical ; Mathematics, Interdisciplinary Applications ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000276675900014
引用统计
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/1702
专题	中国科学院西北高原生物研究所
作者单位	1.Chinese Acad Sci, NW Plateau Inst Biol, Xining 810001, Peoples R China 2.Qufu Normal Univ, Dept Chem, Qufu 273165, Shandong, Peoples R China
推荐引用方式 GB/T 7714	Ma, Ke-Sheng,You, Jin-Mao,Zhou, Zheng-Yu,et al. Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2010,110(7):1425-1431.
APA	Ma, Ke-Sheng,You, Jin-Mao,Zhou, Zheng-Yu,Su, Chun-Fang,&Wang, Xiang-Xiang.(2010).Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,110(7),1425-1431.
MLA	Ma, Ke-Sheng,et al."Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110.7(2010):1425-1431.