Project information
Biomolecular centre
- Project Identification
- LC06030
- Project Period
- 3/2006 - 12/2011
- Investor / Pogramme / Project type
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Ministry of Education, Youth and Sports of the CR
- Basic Research Center
- MU Faculty or unit
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Central European Institute of Technology
- prof. RNDr. Vladimír Sklenář, DrSc.
- Keywords
- Cancer drugs, biosensors, lectins, molecular modeling of biomolecules, biomolecular NMR
- Cooperating Organization
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Institute of Biophysics
- Responsible person prof. RNDr. Jiří Šponer, DrSc.
- Responsible person doc. RNDr. Ivan Rychlík, Ph.D.
The main goal of the project is to elevate the structural biology in the Czech Republic from studies of individual biomacromolecules to investigations of their complexes. This goal will be achieved by implementation of up-to-date methodology in selected scientific fields (NMR spectroscopy, computational modeling) and by focusing on problems, which are currently in the centre of interest of contemporary life sciences. Among others, key cell processes such as preservation of genome stability and DNA repair, ribosomal protein synthesis, or information transfer by recognition (lectins) will be studied. Selected research projects will lead eventually to bioanalytical (biosensors) and biomedical (vaccines, chemotherapeutics) outcomes with potential applications in research and development. To reach the outlined goals, active collaboration of participating institutions is inevitable. A number of projects will require also a broad international collaboration.
Results
The main goal of the project is to help to drive structural biology in the Czech Republic from studies on single biomacromolecules to studies on biomacromolecular complexes. To achieve the goal, we will implement recent advances in selected key methods in the field (NMR spectrometry, computer modeling) and also contribute to their development. The research will be oriented not only to the structure of biomacromolecules but will also include studies of structure/function relationship. It will touch suchimportant phenomena of the cell life as keeping genome stability, DNA repair, protein synthesis in the ribosome or information transfer via recognition (lectins). Selected parts of the research will be devoted to bioanalytical (biosensors) or biomedicinal(vaccines, chemotherapeutics) projects capable of providing results with potential applications at the practical level. By solving the above scientific tasks, the team will increase its international competitiveness. At the same time, the project will
Publications
Total number of publications: 284
2011
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Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines
Physical Chemistry Chemical Physics, year: 2011, volume: 13, edition: 35, DOI
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Natural Compound Cudraflavone B Shows Promising Anti-inflammatory Properties in Vitro
Journal of Natural Products, year: 2011, volume: 74, edition: 4, DOI
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NMR cross-correlated relaxation rates reveal ion coordination sites in DNA
Journal of the American Chemical Society, year: 2011, volume: 133, edition: 35, DOI
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NMR study of an RNA polymerase subunit unique for gram-positive bacteria
Year: 2011, type: Appeared in Conference without Proceedings
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Noncanonical Hydrogen Bonding in Nucleic Acids. Benchmark Evaluation of Key Base-Phosphate Interactions in Folded RNA Molecules Using Quantum-Chemical Calculations and Molecular Dynamics Simulations
JOURNAL OF PHYSICAL CHEMISTRY A, year: 2011, volume: 115, edition: 41, DOI
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pKa Calculation for Selected Active Site Residues in Acetylcholinesterase
Year: 2011, type: Conference abstract
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PMFLib – A TOOLKIT FOR FREE ENERGY CALCULATIONS
Year: 2011, type: Conference abstract
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PMFLib – A TOOLKIT FOR FREE ENERGY CALCULATIONS II
Year: 2011, type: Conference abstract
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Predicting pK(a) values of substituted phenols from atomic charges: Comparison of different quantum mechanical methods and charge distribution schemes
Journal of Chemical Information and Modeling, year: 2011, volume: 51, edition: 8
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Predicting pKa values of substituted phenols from atomic charges.
Year: 2011, type: Conference abstract