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Elbow flexibility of the kt38 RNA kink-turn motif investigated by free-energy molecular dynamics simulations

SYSNO ASEP	0331241
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Elbow flexibility of the kt38 RNA kink-turn motif investigated by free-energy molecular dynamics simulations
Title	Flexibilita kink turn motivu 38 studovaná molekulově dynamickými simulacemi
Author(s)	Curuksu, J. (DE) Šponer, Jiří (BFU-R)_{RID, ORCID} Zacharias, M. (DE)
Number of authors	3
Source Title	Biophysical Journal. - : Cell Press - ISSN 0006-3495 Roč. 97, č. 7 (2009), s. 2004-2013
Number of pages	10 s.
Language	eng - English
Country	US - United States
Keywords	umbrella-sampling ; molecular dynamics ; A-minor interaction
Subject RIV	BO - Biophysics
R&D Projects	IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z50040507 - BFU-R (2005-2011)
	AV0Z50040702 - BFU-R (2007-2013)
UT WOS	000270586000023
DOI	10.1016/j.bpj.2009.07.031
Annotation	Umbrella-sampling molecular dynamics simulations were used to disrupt an A-minor interaction in the ribosomal kt38 turn and to calculate the associated free-energy change. The simulations revealed a coupled A-minor disruption and global opening of the K-turn motif, and allowed us to characterize several intermediate A-minor conformations.
Workplace	Institute of Biophysics
Contact	Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244
Year of Publishing	2010

Number of the records: 1