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Thesis topic proposal
 
Gábor Paragi
Computational investigations of molecular interactions in protein-ligand complexes or in self-assembling nucleic acid systems.

THESIS TOPIC PROPOSAL

Institute: University of Szeged
theoretical medicine
Theoretical Medicine Doctoral School

Thesis supervisor: Gábor Paragi
Location of studies (in Hungarian): MTA-SZTE Biomimetic System Research Group
Abbreviation of location of studies: BSRG


Description of the research topic:

Using computer simulations, we want to study biologically important protein-ligand interactions by various theoretical methods, such as molecular mechanics or quantum chemistry. Such a system may be a complex of a receptor or kinase protein (e.g., NMDA, AMPA, SQR, AKR, etc.) with small drug-like molecules or peptides. Computational studies may involve the exploration of various structure-activity relationships and quantum mechanical analysis of the binding of small molecules.
Another area of research is the study of oligonucleotides containing modified nucleobases. Using the theoretical methods mentioned above, we want to understand the theoretical background of the interactions that control the self-assembly processes of oligonucleotides.

Required language skills: english
Number of students who can be accepted: 1

Deadline for application: 2023-01-31


2024. IV. 17.
ODT ülés
Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).

 
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