Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
PRECECHTELOVA, Jana, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids. In Viral RNA: Structure, Function and Targeting. Heidelberg: EMBL Heidelberg, 2007, p. 8-8. |
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Basic information | |
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Original name | Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids |
Name in Czech | Konformacni zavislost tenzoru 31P chemickeho posunu v nukleovych kyselinach |
Authors | PRECECHTELOVA, Jana, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. |
Edition | Heidelberg, Viral RNA: Structure, Function and Targeting, p. 8-8, 1 pp. 2007. |
Publisher | EMBL Heidelberg |
Other information | |
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Original language | English |
Type of outcome | Conference abstract |
Field of Study | 10403 Physical chemistry |
Country of publisher | Czech Republic |
Confidentiality degree | is not subject to a state or trade secret |
Organization unit | Faculty of Science |
Keywords in English | RNA; Structure; Function |
Tags | Function, RNA, structure |
Tags | International impact |
Changed by | Changed by: Mgr. Jana Pavlíková Přecechtělová, Ph.D., učo 14825. Changed: 27/6/2008 13:33. |
Abstract |
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NMR parameters of the phosphorus atom in nucleic acids were subject of theoretical investigations in late 70s and 80s using semi-empirical or ab-initio CHF approach. The complexity of studied systems and results were limited by the computational power and theoretical background available at the time. We will describe a detailed of the conformational dependence of 31P chemical shift tensors in RNA and DNA using up-to-date methodology. For the first time, the orientation of the phosphorus chemical shift tensors in all canonical and several non-canonical of the RNa and DNA sugar-phosphate backbone is investigated in detail as a function of torsion angles and solvent interactions. Several models are inspected with respect to their size and the patterns of the hydration shell. The results are compared to experimental data. |
Abstract (in Czech) |
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NMR parameters of the phosphorus atom in nucleic acids were subject of theoretical investigations in late 70s and 80s using semi-empirical or ab-initio CHF approach. The complexity of studied systems and results were limited by the computational power and theoretical background available at the time. We will describe a detailed of the conformational dependence of 31P chemical shift tensors in RNA and DNA using up-to-date methodology. For the first time, the orientation of the phosphorus chemical shift tensors in all canonical and several non-canonical of the RNa and DNA sugar-phosphate backbone is investigated in detail as a function of torsion angles and solvent interactions. Several models are inspected with respect to their size and the patterns of the hydration shell. The results are compared to experimental data. |
Links | |
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GD204/03/H016, research and development project | Name: Strukturní biofyzika makromolekul |
Investor: Czech Science Foundation, Structural biophysics of macromolecules | |
LC06030, research and development project | Name: Biomolekulární centrum |
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre | |
MSM0021622413, plan (intention) | Name: Proteiny v metabolismu a při interakci organismů s prostředím |
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment |
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