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pubmed-article:8569492pubmed:abstractTextWe have presented a detailed analysis for structure determinations for the DNA duplex d(CGCAAAAATGCG) obtained from X-ray crystallography, nuclear magnetic resonance, and molecular dynamics simulation. Each of the structures for the duplex deviates from the structure of the canonical form of B-DNA in a number of observable characteristics. Specifically, the three determinations all contain DNA axis deflections at the junctions of the A-tract with the flanking sequences. The analysis provided shows that the general characteristics of the structures obtained for d(CGCAAAAATGCG) from X-ray, NMR, and MD methods turn out to be quite similar. The extent to which this result can be generalized remains to be established by consideration of similar cross-comparisons on diverse oligonucleotide structures.lld:pubmed
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pubmed-article:8569492pubmed:pagination121-44lld:pubmed
pubmed-article:8569492pubmed:dateRevised2007-11-14lld:pubmed
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pubmed-article:8569492pubmed:articleTitleStructure determination and analysis of local bending in an A-tract DNA duplex: comparison of results from crystallography, nuclear magnetic resonance, and molecular dynamics simulation on d(CGCAAAAATGCG).lld:pubmed
pubmed-article:8569492pubmed:affiliationDepartment of Chemistry, Wesleyan University, Middletown, Connecticut 06459-0280, USA.lld:pubmed
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