Non-covalent interactions, which are much weaker than covalent (chemical) interactions, play a vital role in the biological environment. For example, the structure of the DNA molecule, which stores and transmits genetic information, is determined by non-covalent interactions. Non-covalent interactions play an equally important role in the interaction of small molecules, which may be potential drugs, with proteins. However, these calculations are enormously computationally intensive, as whole biomacromolecules of thousands of atoms need to be considered. Thus, supercomputers play a crucial role in the drug design.
The lecture was prepared for you by Pavel Hobza - a computational chemist, the most cited Czech scientist who has rewritten chemistry textbooks with his discoveries, a holder of the National Czech Head Award for lifetime scientific contribution in the field of computational and theoretical chemistry and the prestigious Schrödinger Medal for studies of non-covalent interactions, awarded once a year by the World Association of Theoretical and Computational Chemists (WATOC).
WHERE: IT4Innovations atrium
WHEN: November 4, 4 pm – 5 pm