Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study
文献类型：期刊论文
| 作者 | Ma, Ke-Sheng1,2; You, Jin-Mao1,2; Zhou, Zheng-Yu1,2; Su, Chun-Fang2; Wang, Xiang-Xiang2 |
| 刊名 | international journal of quantum chemistry
 |
| 出版日期 | 2010-06-01 |
| 卷号 | 110期号:7页码:1425-1431 |
| 关键词 | hydrogen bonding density-functional theory formamide adenine-uracil |
| ISSN号 | 0020-7608 |
| 中文摘要 | 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 |
| 英文摘要 | 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 |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; mathematics, interdisciplinary applications ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; mathematics ; physics |
| 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记录号 | WOS:000276675900014 |
| 公开日期 | 2011-12-13 |
| 源URL | [http://ir.nwipb.ac.cn//handle/363003/1702]  |
| 专题 | 西北高原生物研究所_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. |
入库方式： OAI收割
来源：西北高原生物研究所
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