témavezető: Poppe László
helyszín (magyar oldal): BME Szerves Kémia és Technológia Tanszék helyszín rövidítés: BME
A kutatási téma leírása:
Mechanisms of enzymatic reactions using computer methods (homology modeling, ligand docking, QM / MM calculations) - Synthesis and enzyme kinetics of systematically designed ligands and inhibitors - Computer studies on chemical reactions in solution and within enzymes.
The major aim of the research topic is to examine the function and selectivity of enzymes by computer methods. The mechanisms of ammonia-lyase-, aminomutase-, transaminase- and hydrolase-catalyzed reactions are primarily investigated at molecular level.
In addition to the computer studies on enzymes, the research will be carried out with combined substrate or inhibitor synthesis, enzyme kinetics and enzyme structural investigations. International cooperation is mainly concerned with studying the mechanism of operation of ammonia-lyase and aminomutase enzymes.