Number of the records: 1

Reference quantum chemical calculations on RNA base pairs directly involving the 2'-OH group of ribose

SYSNO ASEP	0324598
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Reference quantum chemical calculations on RNA base pairs directly involving the 2'-OH group of ribose
Title	Referenční kvantově chemické výpočty párů bází RNA přímo využívajících 2'-OH skupinu ribózy
Author(s)	Šponer, Jiří (BFU-R)_{RID, ORCID} Zgarbová, M. (CZ) Jurečka, Petr (BFU-R)_{RID, ORCID} Riley, K.E. (GB) Šponer, Judit E. (BFU-R)_{RID, ORCID} Hobza, Pavel (UOCHB-X)_{RID, ORCID}
Source Title	Journal of Chemical Theory and Computation . - : American Chemical Society - ISSN 1549-9618 Roč. 5, č. 4 (2009), s. 1166-1179
Number of pages	14 s.
Language	eng - English
Country	US - United States
Keywords	RNA ; ribose ; quantum calculations
Subject RIV	BO - Biophysics
R&D Projects	IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	IAA400550701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	LC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z50040507 - BFU-R (2005-2011)
	AV0Z50040702 - BFU-R (2007-2013)
	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000265268800057
DOI	10.1021/ct800547k
Annotation	We report reference quantum chemical calculations of base pairing energies for a representative selection of 25 RNA base pairs utilizing the ribose moiety for base pairing, including structures with amino akceptor interactions. These calculations confirm that, compared to canonical base pairs, many RNA base pairs exhibit a modestly increased role of dispersion attraction compared to canonical base pairs.
Workplace	Institute of Biophysics
Contact	Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244
Year of Publishing	2009

Number of the records: 1