Three-dimensional structure of oligodeoxyribonucleotide d(GGTATACC)(2) in solution simulated by distance restrained molecular dynamic calculations
文献类型：期刊论文
| 作者 | Yan, JL; Wang, LM; Zhang, XD; Zhang, YJ; Mao, XA; Shen, LF |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 1998 |
| 卷号 | 56期号:8页码:799-806 |
| 关键词 | d(GGTATACC)(2) rMD NOE constraints solution-structure NMR |
| 英文摘要 | The solution - structure of oligodeoxyribonucleotide d(GGTATACC)(2) was determined by conventional high - temperature and low - temperature distance restrained Molecular Dynamic (rMD) method. One hundred and eighty six NOE constraints from NOESY NMR spectra of 100 ms mixing time and 20 hydrogen bond constraints as well as 32 dihedral angle constraints were added to the initial structure of standard B - type DNA. Six superimposed structures with low energy of -302 +/- 5 kJ/mol were obtained. The root mean square deviations (rmsd) between different structures were all less than 0.06 nm and the average rmsd was 0.043 nm. The calculated result was illustrated to be reliable also by the back - calculated NOESY which was in good agreement with that from experiment. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Multidisciplinary |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | AQUEOUS-SOLUTION ; NMR ; DUPLEX ; D(G-G-T-A-T-A-C-C) ; CONFORMATIONS ; SPECTROSCOPY ; BINDING ; ANALOG |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000075592400012 |
| 公开日期 | 2015-12-01 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/8296]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Cent China Normal Univ, Ctr Anal & Testing, Wuhan 430079, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yan, JL,Wang, LM,Zhang, XD,et al. Three-dimensional structure of oligodeoxyribonucleotide d(GGTATACC)(2) in solution simulated by distance restrained molecular dynamic calculations[J]. ACTA CHIMICA SINICA,1998,56(8):799-806. |
| APA | Yan, JL,Wang, LM,Zhang, XD,Zhang, YJ,Mao, XA,&Shen, LF.(1998).Three-dimensional structure of oligodeoxyribonucleotide d(GGTATACC)(2) in solution simulated by distance restrained molecular dynamic calculations.ACTA CHIMICA SINICA,56(8),799-806. |
| MLA | Yan, JL,et al."Three-dimensional structure of oligodeoxyribonucleotide d(GGTATACC)(2) in solution simulated by distance restrained molecular dynamic calculations".ACTA CHIMICA SINICA 56.8(1998):799-806. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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