Detailed Information on Publication Record
2007
Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
PRECECHTELOVA, Jana, Markéta MUNZAROVÁ and Vladimír SKLENÁŘBasic information
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
Language
English
Type of outcome
Konferenční abstrakt
Field of Study
10403 Physical chemistry
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
Organization unit
Faculty of Science
Keywords in English
RNA; Structure; Function
Tags
International impact
Změněno: 27/6/2008 13:33, Mgr. Jana Pavlíková Přecechtělová, Ph.D.
V originále
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.
In Czech
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
| GD204/03/H016, research and development project |
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| LC06030, research and development project |
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| MSM0021622413, plan (intention) |
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