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BÖRZSEI, Rita Judit

BÖRZSEI, Rita Judit

Ph.D.

senior lecturer

Department of Pharmacology

Telefon: 31649

Supervisor of the following TDK topics

Supervisor: BÖRZSEI, Rita Judit

Co-supervisor: Dr. HETÉNYI, Csaba

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.

Supervisor: BÖRZSEI, Rita Judit

Co-supervisor: Dr. HETÉNYI, Csaba

Application of pharmacoinformatics tools is essential in modern drug design. The project will focus on the development of computational tools facilitating efficient discovery of potent drug candidates. The tools work with atomic resolution structures of (protein) targets and calculate the strength of drug-target interactions. Students interested in physical chemistry with programming and/or scripting skills (interest) are good candidates for participating in this project.

Supervisor: BÖRZSEI, Rita Judit

Co-supervisor: Dr. HETÉNYI, Csaba

Signal transduction is a key to understanding pathomechamisms of various diseases. Signaling pathways are often based on the formation of complexes between protein partners. In many cases, experimental determination of atomic resolution structures of protein complexes (required by drug design) is difficult. In the present project, we will calculate the structure of such complexes using computational tools. We will also study their molecular dynamics to understand their role in signaling and provide starting information for drug development.