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pubmed-article:2717613pubmed:abstractTextWe compute the full harmonic vibrational spectrum and eigenmodes of a DNA oligomer, d(C-G)3, in optimized B and Z conformations in various ionic environments (0.01-5.0 M NaCl). The statistical interactions of DNA with the diffuse ionic cloud surrounding it in solution are approximately represented within the potential of mean force framework. The lowest eigenfrequency of the B conformation is found to drastically decrease with increased NaCl concentration. This suggests that a soft mode mechanism may be a precursor for the B-to-Z conversion. The free energy balance governing the B-Z isomerization of d(C-G)3 is dominated by the solvent-averaged effective phosphate-phosphate interactions due to substantial cancelations between the much larger intramolecular energy contributions.lld:pubmed
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pubmed-article:2717613pubmed:articleTitleHarmonic vibrations and thermodynamic stability of a DNA oligomer in monovalent salt solution.lld:pubmed
pubmed-article:2717613pubmed:affiliationTheoretical Division, Los Alamos National Laboratory, NM 87545.lld:pubmed
pubmed-article:2717613pubmed:publicationTypeJournal Articlelld:pubmed
pubmed-article:2717613pubmed:publicationTypeResearch Support, U.S. Gov't, P.H.S.lld:pubmed
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