About: Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family

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About: Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. (en)
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 (en)
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 (en)
skos:notation	RIV/00216224:14310/05:00013729!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), P(LN00A016), Z(AV0Z50040507)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Šponer, Jiří Špačková, Naďa Kulhánek, 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	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	533074
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/05:00013729
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/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 (en)
http://linked.open.../riv/klicoveSlovo	NONEMPIRICAL AB-INITIO ELECTRON CORRELATION MOLECULAR-DYNAMICS METAL-CATIONS INTERACTION ENERGIES CATION-PI INTERACTIONS CENTER-DOT-O GUANINE-CYTOSINE HYDRATED MG2+ CATION LARGE RIBOSOMAL-SUBUNIT
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[9DD24A0C8605]
http://linked.open...i/riv/nazevZdroje	JOURNAL OF PHYSICAL CHEMISTRY A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	BIOMOLECULAR CENTER 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	Kulhánek, Petr Leszczynski, Jerzy Šponer, Jiří Šponer, Judit E. Špačková, Naděžda
http://linked.open...n/vavai/riv/zamer	Biophysics of dynamic structures and functions of biological systems
issn	1089-5639
number of pages	10 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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