Project information
Laboratory of Structure and Dynamics of Biomolecules
- Project Identification
- VS96095
- Project Period
- 7/1996 - 12/2000
- Investor / Pogramme / Project type
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Ministry of Education, Youth and Sports of the CR
- Support to University Research Programmes
- MU Faculty or unit
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Faculty of Science
- prof. RNDr. Jaroslav Koča, DrSc.
- Keywords
- biomolecular structure and dynamics, structural biology, computer modeling, NMR spectroscopy, X-ray crystallography, oligonucleotides, peptides, proteins, carbohydrates, nucleotide-sugars
The subject of the proposal is to create Laboratory of Biomolecular Structure and Dynamics. An efficient scientific program is proposed, which will ensure that two recent large investment activities (the supercomputer project and the NMR instrument) will efficiently be used. The project is a combination of NMR spectroscopy, X-ray crystallography and computer modeling. The scientific goals include both methodoly development and its applications on biologically interesting molecules. The systems studied will include oligonucleotides, peptides, carbohydrates, nucleotide-sugars, and proteins. The strategical direction for high technology will be biodegradation in the environment.
Publications
Total number of publications: 27
2001
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Molecular Dynamics of DNA Quadruplex Molecules Containing Inosine, 6-Thioguanine and 6-Thiopurine
Biophysical Journal, year: 2001, volume: 80, edition: 1
2000
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15N NMR Studies of Nitrogen Heterocycles: Examples on Tautomerism and Regioisomerism
XXII Finnish NMR Symposium, year: 2000
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15N NMR studies on tautomerism and regioisomerism of nitrogen heterocycles
15th European Experimental NMR Conference (EENC), year: 2000
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1H-, 13C-, 15N-NMR and Quantum-Chemical Study of the Quaternary Benzo[c]phenanthridine Alkaloids and Their Bases
ANZMAG 2000, year: 2000
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A Method for Direct Determination of Helical Parameters in Nucleic Acids Using Residual Dipolar Couplings
Journal of the American Chemical Society, year: 2000, volume: 122, edition: 42
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An A-type Double Helix of DNA Having B-type Puckering of the Deoxyribose Rings
Journal of Molecular Biology, year: 2000, volume: 297, edition: 4
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Docking-Based Development of Purine-like Inhibitors of Cyclin-Dependent Kinase 2
Journal of Medicinal Chemistry, year: 2000, volume: 43, edition: 13
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Hydrogen Bonding Effects on the N-15 and H-1 Shielding Tensors in Nucleic Acid Base Pairs
Journal of Magnetic Resonance, year: 2000, volume: 145, edition: 1
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Single-coordinate-driving method for molecular docking: Application to modeling of guest inclusion in cyclodextrin
Journal of Molecular Graphics and Modelling, year: 2000, volume: 2000, edition: 18
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Unrestrained Molecular Dynamics Simulations of d(AT5]2 Duplex in Aqueous Solution: Hydration and Sodium Ions Binding in the Minor Groove.
Journal of the American Chemical Society, year: 2000, volume: 122, edition: 22