About: Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a...

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About: Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a... Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Stabilization energies of the H-bonded and stacked structures of a DNA base pair were studied in the crystal structures of adenine-thymine, cytosine-guanine, and adenine-cytosine steps as well as in the 5'-d(GCGAAGC)-3'hairpin (utilizing the NMR geometry). The stacking accounts for a significant part of the overall stabilization. It contributes equally to the stability of DNA as does H-bonding for AT rich DNAs while in the case of GC rich DNAs it forms about one third of the total stabilization. Stabilization energies of the H-bonded and stacked structures of a DNA base pair were studied in the crystal structures of adenine-thymine, cytosine-guanine, and adenine-cytosine steps as well as in the 5'-d(GCGAAGC)-3'hairpin (utilizing the NMR geometry). The stacking accounts for a significant part of the overall stabilization. It contributes equally to the stability of DNA as does H-bonding for AT rich DNAs while in the case of GC rich DNAs it forms about one third of the total stabilization. (en) Byly studovány stabilizační energie vodíkově vázaných a disperzně vázaných párů bazí v geometriích vzatých z krystalových struktur i z NMR studií (5'-d(GCGAAGC)-3'hairpin). V sekvencích bohatých na adenin a thymin přispívá disperzní (stack) interakce k celkové stabilitě stejnou měrou jako vazba vodíkovými vazbami. V GC bohatých sekvencích tvoří disperzní interakce přibližně třetinu celkové interakční energie. (cs)
Title	Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a... Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a... (en) Stabilizační energie vodíkově a disperzně vázaných párů bazí nukleových kyselin v krystalových geometriích a v NMR geometrii hairpinu 5'-d(GCGAAGC)-3': Výpočty v úplné bázové limitě metodami MP2 a CCSD(T) (cs)
skos:prefLabel	Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a... Stabilization energies of the hydrogen-bonded and stacked structures of nucleic acid base pairs in the crystal geometries of CG, AT, and AC DNA steps and in the NMR geometry of the 5'-d(GCGAAGC)-3' hairpin: Complete basis set calculations at the MP2 a... (en) Stabilizační energie vodíkově a disperzně vázaných párů bazí nukleových kyselin v krystalových geometriích a v NMR geometrii hairpinu 5'-d(GCGAAGC)-3': Výpočty v úplné bázové limitě metodami MP2 a CCSD(T) (cs)
skos:notation	RIV/61388963:_____/05:00020898!RIV06-GA0-61388963
http://linked.open.../vavai/riv/strany	1131;1136
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Hobza, Pavel Jurečka, Petr
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	544223
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/05:00020898
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	base pairs; complete basis set; DNA (en)
http://linked.open.../riv/klicoveSlovo	DNA complete basis set base pairs
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[3088A642DE3F]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (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	109
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Jurečka, Petr Dabkowska, I. Gonzalez, H. V.
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1089-5639
number of pages	6 (xsd:int)

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