Conformational analysis of nucleic acids revisited: Curves

被引:659
作者
Lavery, R. [1 ]
Moakher, M. [2 ]
Maddocks, J. H. [3 ]
Petkeviciute, D. [3 ]
Zakrzewska, K. [1 ]
机构
[1] Univ Lyon, CNRS, UMR 5086, Inst Biol & Chim Prot, F-69367 Lyon, France
[2] Ecole Natl Ingenieurs Tunis, Lab Modelisat Math & Numer Sci Ingenieur, Tunis 1002, Tunisia
[3] Swiss Fed Inst Technol, Inst Math B, CH-1015 Lausanne, Switzerland
基金
美国国家科学基金会;
关键词
MOLECULAR-DYNAMICS SIMULATIONS; UNIQUE TETRANUCLEOTIDE SEQUENCES; RNA DOUBLE-HELICES; B-DNA DODECAMER; OPTIMIZED PARAMETERS; STANDARD-DEVIATION; CRYSTAL-STRUCTURE; WIND DIRECTION; STRANDED-DNA; TATA-BOX;
D O I
10.1093/nar/gkp608
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
We describe Curves+, a new nucleic acid conformational analysis program which is applicable to a wide range of nucleic acid structures, including those with up to four strands and with either canonical or modified bases and backbones. The program is algorithmically simpler and computationally much faster than the earlier Curves approach, although it still provides both helical and backbone parameters, including a curvilinear axis and parameters relating the position of the bases to this axis. It additionally provides a full analysis of groove widths and depths. Curves+ can also be used to analyse molecular dynamics trajectories. With the help of the accompanying program Canal, it is possible to produce a variety of graphical output including parameter variations along a given structure and time series or histograms of parameter variations during dynamics.
引用
收藏
页码:5917 / 5929
页数:13
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