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- W2092149021 abstract "Abstract The structure of a DNA octamer, d(CCTTAAGG) 2 , was investigated in aqueous solution by Raman and NMR spectroscopies. Based on proton—proton distances and torsion angles obtained by NOESY and Raman experiments, respectively, restrained molecular dynamics calculations were carried out. These methods are complementary and allow an optimum structure, which is independent of the initial structures used in the calculations, to be derived. By combining both sets of data, some ambiguities in the potential energy calculations and in the estimation of the distances from NOE experiments are removed. The reconstructed structure indicates that the octamer bends towards the major groove at the TA step, showing a relatively large dynamic motion at this junction. This bending is caused by hydrophobic interaction between the methyl groups of the four thymidine residues located in the centre of the duplex." @default.
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- W2092149021 date "1991-01-01" @default.
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- W2092149021 title "Structure of a DNA octamer, d(CCTTAAGG)2 obtained by restrained molecular dynamics based on Raman and NMR data" @default.
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- W2092149021 doi "https://doi.org/10.1016/0022-2860(91)87131-z" @default.
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