témavezető: Fogarasi Géza
helyszín (magyar oldal): TTK Kémiai Intézet helyszín rövidítés: Kém.
A kutatási téma leírása:
A fundamental goal of molecular biochemistry is to understand the structure and functioning of the four bases in nucleic acids. A vast number of studies, both experimental and especially computational, have dealt with questions like isomerization-tautomerization, intermolecular interactions etc., but many details are still open for study.
An important special question is the role of water (water molecules surrounding the DNA in vivo) in determining structure. Following studies by the supervisor in the past decade, the PhD student would do independent research on hydration, using two approaches: microhydration (a few water molecules added to a base explicitly, thus forming a supermolecule); the base within a cluster of (several hundred) water molecules, treated as a quantum mechanical / molecular mechanics (QM/MM) system.
előírt nyelvtudás: angol felvehető hallgatók száma: 1
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