About: Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue

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About: Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Povrchy potenciální energie párů bází guanin ... cytosin a jejich methylovaných derivátů v přítomnosti jedné a dvou molekul vody byly studovány metodou molekulové dynamiky-quenchingu. Nejstabilnější struktury byly dale reoptimizovány na korelované ab initio úrovni. V textu je rovněž diskutováno odlišné chování páru adenin...thymin. Tyto studie jsou důležité pro nalezení hydratačních míst kolem bází a pro pochopení vlivu solventu na stabilitu struktury DNA. (cs) A scan of the potential and free-energy surfaces of monohydrated and dihydrated guanine...cytosine and 9-methylguanine...1-methylcytosine base pairs was realized by the molecular dynamics/quenching technique using the force field of Cornell et al. The most stable and populated structures localized were further fully reoptimized at the correlated ab initio level employingthe resolution of identity Moller–Plesset method with a large basis set. The different behavior of guanine ... cytosine and adenine ... thymine complexes is discussed. These studies of nucleic acid base pairs are important for finding binding sites of water molecules around bases and for better understanding of the influence of the solvent on the stability of the structure of DNA. A scan of the potential and free-energy surfaces of monohydrated and dihydrated guanine...cytosine and 9-methylguanine...1-methylcytosine base pairs was realized by the molecular dynamics/quenching technique using the force field of Cornell et al. The most stable and populated structures localized were further fully reoptimized at the correlated ab initio level employingthe resolution of identity Moller–Plesset method with a large basis set. The different behavior of guanine ... cytosine and adenine ... thymine complexes is discussed. These studies of nucleic acid base pairs are important for finding binding sites of water molecules around bases and for better understanding of the influence of the solvent on the stability of the structure of DNA. (en)
Title	Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue Povrchy potenciální energie mikrohydratovaného páru guanin...cytosin a jeho methylovaného derivátu (cs) Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue (en)
skos:prefLabel	Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue Povrchy potenciální energie mikrohydratovaného páru guanin...cytosin a jeho methylovaného derivátu (cs) Potential energy surfaces of the microhydrated guanine...cytosine base pair and its methylated analogue (en)
skos:notation	RIV/61388963:_____/06:00038981!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany	439;447
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(KJB400550518), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Zendlová, Lucie Hobza, Pavel Kabeláč, Martin
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	493382
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/06:00038981
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; hydrogen bonds; nucleobases (en)
http://linked.open.../riv/klicoveSlovo	nucleobases ab initio calculations hydrogen bonds
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[6F667848A8A2]
http://linked.open...i/riv/nazevZdroje	ChemPhysCHem
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Influence of the Enviroment on the Stability and Geometry of DNA Building Blocks
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	7
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Kabeláč, Martin Zendlová, Lucie
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1439-4235
number of pages	9 (xsd:int)

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