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Structural dynamics of thrombin-binding DNA aptamer d(GGTTGGTGTGGTTGG) quadruplex DNA studied by large-scale explicit solvent simulations

SYSNO ASEP	0353799
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Structural dynamics of thrombin-binding DNA aptamer d(GGTTGGTGTGGTTGG) quadruplex DNA studied by large-scale explicit solvent simulations
Author(s)	Reshetnikov, R. (RU) Golovin, A. (RU) Spiridonova, V. (RU) Kopylov, A. (RU) Šponer, Jiří (BFU-R)_{RID, ORCID}
Number of authors	5
Source Title	Journal of Chemical Theory and Computation . - : American Chemical Society - ISSN 1549-9618 Roč. 6, č. 10 (2010), s. 3003-3014
Number of pages	12 s.
Language	eng - English
Country	US - United States
Keywords	molecular dynamics ; quadruplex DNA ; thrombin
Subject RIV	BO - Biophysics
R&D Projects	IAA400040802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	GA203/09/1476 GA ČR - Czech Science Foundation (CSF)
	LC06030 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z50040507 - BFU-R (2005-2011)
	AV0Z50040702 - BFU-R (2007-2013)
UT WOS	000282840600001
DOI	10.1021/ct100253m
Annotation	The thrombin-binding aptamer (15-TBA) is a 15-mer DNA oligonucleotide with sequence d(GGTTGGTGTGGTTGG). 15-TBA folds into a quadruplex DNA (G-DNA) structure with two planar G-quartets connected by three single-stranded loops. In the present study, the explicit solvent molecular dynamics (MD) simulation method was utilized to analyze the 15-TBA-thrombin threedimensional structure.
Workplace	Institute of Biophysics
Contact	Jana Poláková, polakova@ibp.cz, Tel.: 541 517 244
Year of Publishing	2011

Number of the records: 1