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Lecturer(s)
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Berka Karel, doc. RNDr. Ph.D.
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Jurečka Petr, doc. RNDr. Ph.D.
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Course content
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Virtually all processes in living environment are from the beginning to the end unambiguously controlled by non-covalent interactions. Structure of bimolecules resulting from a delicate balance of the hydrogen bonds, electrostatic, dispersion, repulsion and hydrophobic interactions determines uniquely their function. 1. Origin and description of noncovalent interactions. Covalent and non-covalent interactions. 2. Experimental detection of noncovalent interactions. 3. Quantum chemistry and statistical thermodynamics of non-covalent interactions; static and dynamic view. 4. Computer experiments: molecular dynamics and Monte Carlo. 5. Non-covalent interactions in chemistry and physics. 6. Energy, enthalpy, entropy, free energy. Hydrophobic interactions. 7. Hydrogen bond, improper hydrogen bond, double hydrogen bond. 8. Intermolecular complexes in gas phase. 9. Role of liquid phase and structure of the non-covalent complexes in condensed phase. 10. Non-covalent interactions in bio-disciplines. 11. Structure and function of the nucleic bases, their oligomers, DNA and the complexes of DNA with drugs and xenobiotics. 12. Structure and function of proteins, protein folding. 13. Interactions of proteins with drugs, inhibitors and xenobiotics
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Learning activities and teaching methods
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Monologic Lecture(Interpretation, Training)
- Preparation for the Exam
- 90 hours per semester
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Learning outcomes
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The subject is focused on non-covalent interactions stabilizing intermolecular complexes play an important role in chemistry and physics and are of key importance in bio-disciplines.
ability to define main concepts, describe non-covalent interactions related to bio-disciplines
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Prerequisites
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unspecified
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Assessment methods and criteria
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Oral exam
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Recommended literature
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Hobza P., Havlas Z. (2000). Blue-Shifting Hydrogen Bonds. Chem. Rev. 100, 4253.
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Hobza P., Šponer J. (1999). Structure, Energetics, and Dynamics of the Nucleic Acid Base Paris. Chem. Rev. 99, 3247.
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Hobza P., Zahradník R. (1988). Intermolecular Interactions between Medium-Sized Systems. Chem. Rev. 88, 871.
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Hobza P., Zahradník R. (1988). Mezimolekulové komplexy. Academia Praha.
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Mueller-Dethlefs K., Hobza P. (2000). Noncovalent Interactions: A Challenge for Experiment and Theory. Chem. Rev. 100, 143.
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