Project information
Structural biophysics of macromolecules
- Project Identification
- GD204/03/H016
- Project Period
- 1/2003 - 12/2006
- Investor / Pogramme / Project type
-
Czech Science Foundation
- Doctor grants
- MU Faculty or unit
-
Faculty of Science
- prof. RNDr. Viktor Brabec, DrSc.
- prof. RNDr. Jaroslav Koča, DrSc.
- Keywords
- DNA, proteins, structure, cancer, antitumor drugs
The major objective of this project is to support, coordinate and make more effective scientific and research activities within the doctoral study program in the field of molecular biophysics and biology. Realization of this project will result incoordin ated activities within this doctoral study program of two research institutions in Brno with related and complementary scientific orientations in the fields of molecular biophysics and biology, namely the Faculty of Sciences of the MasarykUniversity - Na tional Center for Biomolecular Research and Institute of Biophysics, Academy of Sciences of the Czech Republic. A broader methodological orientation of the students participating in this project will be made possible by the use ofcomplementary and excell ent methodologies and instrumentation for research focused on the studies of structure of biomacromolecules and their interactions with the aid of the methods of molecular biophysics and biology.
Publications
Total number of publications: 40
2011
-
Comparison of protein structural motifs – challenges and algorithms. Improved approach and case studies
Year: 2011, type: Conference abstract
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Docking study of matrix metalloproteinase inhibitors
Year: 2011, type: Conference abstract
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Fast methods of atomic charge calculation: the Electronegativity Equalization Method for proteins.
Year: 2011, type: Conference abstract
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Predicting pKa values of substituted phenols from atomic charges.
Year: 2011, type: Conference abstract
-
QSPR modeling – algorithms, challenges and IT solutions
Year: 2011, type: Conference abstract
2010
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Why acetylcholinesterase reactivators do not work in butyrylcholinesterase
Journal of Enzyme Inhibition and Medicinal Chemistry, year: 2010, volume: 25, edition: 3
2009
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Understanding the NMR Chemical Shifts for 6-halopurines: Role of Structure, Solvent, and Relativistic Effects
Modeling Interactions in Biomolecules IV, year: 2009
2008
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Mechanism of Hydrogen Bond Array Isomerization in Tetrahydroxycalix[4]arene and Tetrahydroxythiacalix[4]arene
Journal of Physical Chemistry A, year: 2008, volume: 112, edition: 1
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P-31 Chemical Shift Tensors in Nucleic Acids from the Quantum Chemistry Point of View
23rd NMR Valtice, year: 2008
2007
-
Acetylcholinesterases - the similarities and differences
Journal of Enzyme Inhibition and Medicinal Chemistry, year: 2007, volume: 22, edition: 4