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Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study | |
Ma, Ke-Sheng ; You, Jin-Mao ; Zhou, Zheng-Yu ; Su, Chun-Fang ; Wang, Xiang-Xiang | |
2010-06-01 | |
发表期刊 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY ; Ma, KS; You, JM; Zhou, ZY; Su, CF; Wang, XX.Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study,INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2010,110(7):1425-1431 |
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 |
文献类型 | 期刊论文 |
条目标识符 | http://210.75.249.4/handle/363003/35815 |
专题 | 中国科学院西北高原生物研究所 |
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, Ma, KS; You, JM; Zhou, ZY; Su, CF; Wang, XX.Interaction Between RNA Segment (Adenine-Uracil) and Model of Protein Unit (Formamide): A Density-Functional Theory Study,INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2010,110(7):1425-1431,2010. |
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. |
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 (2010). |
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