BI - BII transitions in B-DNA

Molecular modelling is used to study the conformational and energetic aspects of BI - BII transitions within the backbone of a B-DNA dodecamer d(CATGACGTCATG) whose fine structure has previously been determined by molecular modelling combined with NMR spectroscopy. It is shown that while the dodecam...

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Bibliographic Details
Published in:Nucleic acids research 1993-02, Vol.21 (3), p.561-568
Main Authors: Hartmann, Brigitte, Piazzola, Daniel, Lavery, Richard
Format: Article
Language:English
Subjects:
Base Sequence
Biochemistry, Molecular Biology
Biological and medical sciences
Computer Simulation
Conformational dynamics in molecular biology
DNA - chemistry
Fundamental and applied biological sciences. Psychology
Life Sciences
Magnetic Resonance Spectroscopy
Models, Molecular
Molecular biophysics
Molecular Sequence Data
Nucleic Acid Conformation
Thermodynamics
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Summary:Molecular modelling is used to study the conformational and energetic aspects of BI - BII transitions within the backbone of a B-DNA dodecamer d(CATGACGTCATG) whose fine structure has previously been determined by molecular modelling combined with NMR spectroscopy. It is shown that while the dodecamer under Investigation does not contain any BII junctions, the central CpG step can most easily undergo the transition. More generally, It Is also found that the base sequence and hence the backbone geometry of a DNA segment, strongly Influences both the conformational Impact of the transition, the associated energy barrier and the stability of the resulting B state.
ISSN:0305-1048
1362-4962
DOI:10.1093/nar/21.3.561