Session Speaker

Recent Advances In Computational Drug Design
C. Ögretir

After giving a brief historical review on computational chemistry, some typical cases on usage of Molecular Mechanics, Semi - empirical and Ab initio methods within the frame of quantitative calculation will be discussed on the bases of QSAR and QSPR studies. The availability and validity of each method will be evaluated. The application of quantum chemical calculations on drug design will be demonstrated by examples and some attempts will be done to demonstrate how to approach to elucidate the mechanism of the studied processes.