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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Thermodynamics behind CV-IIL binding of saccharides
Year: 2011, type: Conference abstract
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Three-Dimensional Potential Energy Surface of Selected Carbohydrates' CH/p Dispersion Interactions Calculated by High-Level Quantum Mechanical Methods
Chemistry - A European Journal, year: 2011, volume: 17, edition: 20, DOI
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Validation of relativistic DFT approaches to the calculation of NMR chemical shifts in square-planar Pt2+ and Au3+ complexes
Journal of Chemical Theory and Computation, year: 2011, volume: 7, edition: 12, DOI
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Virtual screening and in silico design of novel inhibitors of bacterial lectins
Year: 2011, type: Conference abstract
2010
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13C Chemical Shift Tensors in Hypoxanthine and 6-Mercaptopurine : Effects of Substitution, Tautomerism, and Intermolecular Interactions
The Journal of Physical Chemistry A, year: 2010, volume: 114, edition: 4, DOI
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A TNF-like Trimeric Lectin Domain from Burkholderia cenocepacia with Specificity for Fucosylated Human Histo-Blood Group Antigens
Structure, year: 2010, volume: 18, edition: 1, DOI
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An RNA Molecular Switch: Intrinsic Flexibility of 23S rRNA Helices 40 and 68 5 '-UAA/5 '-GAN Internal Loops Studied by Molecular Dynamics Methods
Journal of Chemical Theory and Computation, year: 2010, volume: 2010, edition: 6
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ANALYSIS OF BACKBONE MOTIONS OF DELTA SUBUNIT OF RNA POLYMERASE FROM BACILLUS SUBTILIS
Year: 2010, type: Conference abstract
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Aspergillus fumigatus as a pathogen - role of surface interacting molecules
Year: 2010, type: Conference abstract
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Aspergillus fumigatus lectins - how to stay in touch
Year: 2010, type: Conference abstract