Research and development involving studies of enzymatic reaction, receptor-ligand interaction and transporter protein mechanisms. Computer Aided Drug Design. Calculation of free energy profile, elucidation of the flexibility and dynamical behavior of the protein-substrate complex are some of the major goals. To these aims our research group exploits computational techniques such as classical molecular dynamics (MD) simulations, quantum mechanics (QM) and docking methods to investigate the structure, kinetics and thermodynamics of biological molecules, especially enzyme-ligand complexes. Applications of drug design tools to case studies are of special interest. For example, Monoamine oxidase (A and B), Histone deacetylase (HDACs), Dopamine transporter (DAT), Methionine amino peptidase (MetAP2) and neuronal nitric oxide synthase (nNOS) are among the drug targets studied.
PhD in Organic Chemistry, 1987
MSc in Organic Chemistry, 1981
BSc in Chemistry, 1979
Middle East Technical University
Selected International Conferences Attended: