Thesis supervisor: Csaba Hetényi
Location of studies (in Hungarian): PTE ÁOK Pécs, Szigeti u. 12. Abbreviation of location of studies: ÁOK
Description of the research topic:
Computational docking is an essential tool of drug design widely used by pharmaceutical companies. The project will focus on the prediction of structure and energy of drug-target interactions by computational docking. Both capabilities and limitations of the method will be investigated on a set of drug-target systems. The set will be assembled on the basis of common interest of the student and the supervisor. Further information on a recent method of ours can be found at http://www.wnsdock.xyz