KFC/NEK Noncovalent Interactions

Lecturer: Petr Jurečka
Lecture: 2 hours/week
Credits: 3
Winter semester
Form of course completion: exam

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.

• Origin and description of noncovalent interactions. Covalent and non-covalent interactions.
• Experimental detection of noncovalent interactions.
• Quantum chemistry and statistical thermodynamics of  non-covalent interactions; static and dynamic view.
• Computer experiments: molecular dynamics and Monte Carlo.
• Non-covalent interactions in chemistry and physics.
• Energy, enthalpy, entropy, free energy. Hydrophobic interactions.
• Hydrogen bond, improper hydrogen bond, double hydrogen bond.
• Intermolecular complexes in gas phase.
• Role of  liquid phase and structure of the non-covalent complexes in  condensed phase.
• Non-covalent interactions in bio-disciplines.
• Structure and function of the nucleic bases, their oligomers, DNA and the complexes of DNA with drugs and xenobiotics.
• Structure and function of proteins, protein folding.
• Interactions of proteins with drugs, inhibitors and xenobiotics