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Thesis topic proposal
 
Ödön Farkas
Studies of chemical reactions in enzymes via QM/MM (ONIOM) method.

THESIS TOPIC PROPOSAL

Institute: Eötvös Loránd University, Budapest
chemistry
György Hevesy Doctoral School of Chemistry

Thesis supervisor: Ödön Farkas
Location of studies (in Hungarian): Laboratory of Chemical Informatics and Department of Organic Chemistry, Institute of Chemistry, Faculty of Natural Sciences, Eötvös Loránd University of Budapest
Abbreviation of location of studies: ELTE


Description of the research topic:

Presently, mechanism of chemical reactions can only be studied vi quantum chemistry, but due to the size of biomolecules we apply a mutilayer method. ONIOM is an efficient way for QM/MM studies. The applicant will determine the mechanism of one or more chemical reactions in enzymatic environment, if previously suggested mechanisms are available, comment on them.

Required language skills: English
Further requirements: 
MSc in Chemistry or Biology. Experience in the field of molecular modelling is an advance.

Number of students who can be accepted: 2

Deadline for application: 2024-05-31


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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