Chemistry of biomolecules 0600-S1-CM-PW7a-IV

The main aim of the course is the enrichment and grounding knowledge about the structure and properties of biomolecules and the available computational tools for their description. The course covers the basis of the atom and molecule structure, the influence of the symmetry on the properties of the system, stereochemistry in biomolecules, non-covalent intramolecular and intermolecular interactions vital for the bio(macro)molecules structure and function, and chemical reactivity of selected biomolecules. These problems will be analyzed with the application of various tools of computational chemistry. The discussion of the advantages and disadvantages of commonly applied approaches in context of modeling biomolecules will be presented. Computer lab will focus on the way of problem formulation and model construction. Students work with the 3D structures of exemplary systems and transfer them to the 2D space on the monitor. The conducted projects will cover the influence of the presence of the stereogenic center on the properties of biomolecules, the hydrogen bonds, van der Waals interactions and their influence on the molecular structure and properties, conformational analysis of bio(macro)molecules or the electron density distribution for the reactivity determination, bariers for rotation around the peptide and glycosisic bonds, anomeric effect, mutarotation etc.