Course : Quantum BiochemistryAims : The basic notions of quantum biochemistry.
Objectives : Theories of quantum chemistry and biochemistry, which allow the understanding of molecular structure and reactivity. The students are able to calculate the parameters in order to determine the reactivity of some centres of reaction, and to obtain the molecular structure for biological molecules.
Description : Basic notions of quantum chemistry and biochemistry. Wave function. Schrodinger equation. Hamiltonian of an atomic system with many electrons. Born-Oppenheimer approximation. Hartree-Fock-Roothan equation. pi-electronic approximation. Electronic and energetic properties of pi-electronic approximation. Semi-empirical methods for the calculation of structural and electronic properties of molecular systems. Qualitative theories of chemical reactivity. Quanto-chemical relative calculation of reaction capacity. Structure and reactivity for the principal classes of biological compounds. Proteins as electronic conjugated systems. Electronic states. Structure and reactivity of proteins. Aminoacids’ structure. Structure and reactivity of enzymes, lipids, fat acids, nucleic acids and vitamins.
Assessment : written examination
