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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F05%3A00013729%21RIV10-MSM-14310___
rdf:type
skos:Concept n16:Vysledek
dcterms:description
Large RNA molecules exhibit an astonishing variability of base-pairing patterns, while many of the RNA base-pairing families have no counterparts in DNA. The cis Watson-Crick/sugar edge (cis WC/SE) RNA base pairing is investigated by ab initio quantum chemical calculations. A detailed structural and energetic characterization of all 13 crystallographically detected members of this family is provided by means of B3LYP/ 6-31G** and RIMP2/aug-cc-pVDZ calculations. Further, a prediction is made for the remaining 3 cis WC/ SE base pairs which are yet to be seen in the experiments. The interaction energy calculations point at the key role of the 2 '-OH group in stabilizing the sugar-base contact and predict all 16 cis WC/SE base-pairing patterns to be nearly isoenergetic. Large RNA molecules exhibit an astonishing variability of base-pairing patterns, while many of the RNA base-pairing families have no counterparts in DNA. The cis Watson-Crick/sugar edge (cis WC/SE) RNA base pairing is investigated by ab initio quantum chemical calculations. A detailed structural and energetic characterization of all 13 crystallographically detected members of this family is provided by means of B3LYP/ 6-31G** and RIMP2/aug-cc-pVDZ calculations. Further, a prediction is made for the remaining 3 cis WC/ SE base pairs which are yet to be seen in the experiments. The interaction energy calculations point at the key role of the 2 '-OH group in stabilizing the sugar-base contact and predict all 16 cis WC/SE base-pairing patterns to be nearly isoenergetic.
dcterms:title
Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family
skos:prefLabel
Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family
skos:notation
RIV/00216224:14310/05:00013729!RIV10-MSM-14310___
n3:aktivita
n7:P n7:Z
n3:aktivity
P(GA203/05/0009), P(LN00A016), Z(AV0Z50040507)
n3:cisloPeriodika
10
n3:dodaniDat
n12:2010
n3:domaciTvurceVysledku
n6:7167830 n6:3223779 n6:3466272
n3:druhVysledku
n8:J
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n15:predkladatel
n3:idSjednocenehoVysledku
533074
n3:idVysledku
RIV/00216224:14310/05:00013729
n3:jazykVysledku
n17:eng
n3:klicovaSlova
LARGE RIBOSOMAL-SUBUNIT; NONEMPIRICAL AB-INITIO; CATION-PI INTERACTIONS; HYDRATED MG2+ CATION; CENTER-DOT-O; INTERACTION ENERGIES; ELECTRON CORRELATION; MOLECULAR-DYNAMICS; GUANINE-CYTOSINE; METAL-CATIONS
n3:klicoveSlovo
n4:HYDRATED%20MG2%2B%20CATION n4:LARGE%20RIBOSOMAL-SUBUNIT n4:GUANINE-CYTOSINE n4:CATION-PI%20INTERACTIONS n4:NONEMPIRICAL%20AB-INITIO n4:CENTER-DOT-O n4:INTERACTION%20ENERGIES n4:METAL-CATIONS n4:MOLECULAR-DYNAMICS n4:ELECTRON%20CORRELATION
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[9DD24A0C8605]
n3:nazevZdroje
JOURNAL OF PHYSICAL CHEMISTRY A
n3:obor
n19:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
5
n3:projekt
n14:LN00A016 n14:GA203%2F05%2F0009
n3:rokUplatneniVysledku
n12:2005
n3:svazekPeriodika
109
n3:tvurceVysledku
Špačková, Naděžda Šponer, Jiří Kulhánek, Petr Šponer, Judit E. Leszczynski, Jerzy
n3:zamer
n18:AV0Z50040507
s:issn
1089-5639
s:numberOfPages
10
n13:organizacniJednotka
14310