About: Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The intrinsic stabilita of Watson-Crick d(A.T) and r(A.U) hydrogen bonds was analyzed by employing a variety of quantum-mechanical techniques, such as energy calculations, determination of reactivity indexes, and analysis of electron density topology. The analyses was performed on equilibrium gas phase geometries and for hundreds of conformations derived from molecular dynamics (MD) and database analysis. None of our results support the idea that r(A.U) hydrogen bonds are more stable than d(A.T). Instead our data are in accordance with traditional view that the greater stability of RNA relative to DNA is attributable to a variety of effects (e.g. stacking, sugar puckering, solvation etc.). The intrinsic stabilita of Watson-Crick d(A.T) and r(A.U) hydrogen bonds was analyzed by employing a variety of quantum-mechanical techniques, such as energy calculations, determination of reactivity indexes, and analysis of electron density topology. The analyses was performed on equilibrium gas phase geometries and for hundreds of conformations derived from molecular dynamics (MD) and database analysis. None of our results support the idea that r(A.U) hydrogen bonds are more stable than d(A.T). Instead our data are in accordance with traditional view that the greater stability of RNA relative to DNA is attributable to a variety of effects (e.g. stacking, sugar puckering, solvation etc.). (en) Vnitřní stabilita vodíkových vazeb Watson-Crickových párů d(A.T) a r(A.U) byla analýzována zahrnutím rozmanitých kvantově-mechanických technik jako výpočty energie, určování indexů reaktivity a analýza topologie elektronové hustoty. Analýza byla dělána na rovnovážných geometriích v plynné fázi a na stovkách konformací získaných z molekulové dynamiky a databázové analýzy. Žádný z našich výsledků nepotvrdil myšlenku, že r(A.U) vodíkové vazby jsou stabilnější než d(A.T). (cs)
Title	Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study (en) Jsou vodíkové vazby RNA (.U) silnější než DNA (A.T)? Kvantově-mechanická studie (cs)
skos:prefLabel	Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study (en) Jsou vodíkové vazby RNA (.U) silnější než DNA (A.T)? Kvantově-mechanická studie (cs)
skos:notation	RIV/68081707:_____/05:00021195!RIV06-AV0-68081707
http://linked.open.../vavai/riv/strany	5062;5066
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), Z(AV0Z50040507)
http://linked.open...iv/cisloPeriodika	17
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Šponer, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Biofyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	513050
http://linked.open...ai/riv/idVysledku	RIV/68081707:_____/05:00021195
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	density functional calculations; DNA; hydrogen bonds (en)
http://linked.open.../riv/klicoveSlovo	DNA density functional calculations hydrogen bonds
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[8588CF66FF13]
http://linked.open...i/riv/nazevZdroje	Chemistry European Journal
http://linked.open...in/vavai/riv/obor	BO
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	11
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Šponer, Jiří Jurečka, Petr Orozco, Modesto Luque, Javier F. Pérez, Alberto
http://linked.open...n/vavai/riv/zamer	Biophysics of dynamic structures and functions of biological systems
issn	0947-6539
number of pages	5 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Are the hydrogen bonds of RNA (.U) stronger than those of DNA (A.T)? A quantum mechanics study

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