Original title: Kvantově-chemické a molekulárnědynamické studium nekovalentních interakcí
Translated title: Quantum-chemical and Molecular-dynamical Study of Noncovalent interactions
Authors: Řezáč, Jan ; Hobza, Pavel (advisor) ; Havlas, Zdeněk (referee) ; Otyepka, Michal (referee)
Document type: Doctoral theses
Year: 2008
Language: eng
Abstract: [eng] [cze]
Introduction First part of thc thcsis summarizcs rcsults of our studics of noncovalcnt intcractions, invcstigatcd bl cfficicnt computational mcthods. Noncovalcnt interactions are rveaker than covalent bonds, but it does not mean they are iess important. It is cspccialh' ttuc in biornolcculcs - their primary structurc is simple, they are composed from limited number of building blocks. \X/hat detetmines theit strucrure and birllogical functirrn are noncovalent interacťions. Ma)or part of this lr'ork is ... Structure and funcúon of thc DNÁ molecule is determined by interaction oínucleic acid bases, which can bc studicd using quantum-mechanical methods. Iinorvlcdgc of stabiliry of thc DN:\ doublc hclix, mcasurcd as frcc cncrgy of its unwinding (dissociation, denaturation). is irnporrant not only for understanding of the function of DN,\, but also for ri'orking rvith DN''\ in laboratory. Stabiliry of DNA oligomers is knos'n do be dependent on sequence of nucleotides and can be cstimatcd using cmpincal statistical modcls. In ru'o papcrs prcsented herc, wc investigated the relationship bets'een interaction betrveen DN;\ bases, which can be readilv calculated, and experimental\' evaluated stabiliry of DNA oligomcrs. Long DN;\ molecule is structure large enough to be mechanically manipulatcd, tbr... E á5á ?? Ťá:- c 25 =? A p -ď>F č " Ě.: i,.,j : :.{! ža*E.!.+ o F > i . 4 E i=' ? $ts..ÉĚ:řE'í,É ,'", áE53ť.-= e'H:l. " u€ŤE!9 á.ří-Ť Ěa Ěi.Ťíáa;ia* 3€ r;:EšE ÍíiEo a .8 E.l !.p.i i,e í= > *-^.Y'ř > y,N.í; :ží;1:i;i;a.i +É.íaeE!:i,E? .;9. ip? E EB,' ř5:3 .!E a-s'i.Ěčž{E€,i " i F,rE.;€; ř íĚĚr iá ÉŤEil:ilfŠEáž

Institution: Charles University Faculties (theses) (web)
Document availability information: Available in the Charles University Digital Repository.
Original record: http://hdl.handle.net/20.500.11956/14549

Permalink: http://www.nusl.cz/ntk/nusl-290584


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Universities and colleges > Public universities > Charles University > Charles University Faculties (theses)
Academic theses (ETDs) > Doctoral theses