Number of the records: 1

Comparison of intrinsic stacking energies of ten unique dinucleotide steps in A-RNA and B-DNA duplexes. Can we determine correct order of stability by quantum-chemical calculations?

SYSNO ASEP	0338172
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Comparison of intrinsic stacking energies of ten unique dinucleotide steps in A-RNA and B-DNA duplexes. Can we determine correct order of stability by quantum-chemical calculations?
Title	Srovnání stacking energií deseti dinukleotidových stepů v A-RNA a B-DNA duplexes. Můžeme správně určit pořadí stability pomocí kvantově chemických výpočtů?
Author(s)	Svozil, D. (CZ) Hobza, Pavel (UOCHB-X)_{RID, ORCID} Šponer, Jiří (BFU-R)_{RID, ORCID}
Number of authors	3
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 114, č. 2 (2010), s. 1191-1203
Number of pages	13 s.
Language	eng - English
Country	US - United States
Keywords	molecular dynamics ; quantum chemistry ; base pair step
Subject RIV	BO - Biophysics
R&D Projects	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	LC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z50040507 - BFU-R (2005-2011)
	AV0Z50040702 - BFU-R (2007-2013)
	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000273405000061
DOI	10.1021/jp910788e
Annotation	High level ab initio methods have been used to study stacking interactions in ten unique base pair steps both in A-RNA and in B-DNA duplexes. The protocol for selection of geometries based on molecular dynamics (MD) simulations is proposed, and its suitability is demonstrated by comparison with stacking in steps at fiber diffraction geometries.
Workplace	Institute of Biophysics
Contact	Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244
Year of Publishing	2010

Number of the records: 1