Random coil proton chemical shifts of deoxyribonucleic acids.
作者： Sik Lok Lam , Lai Nang Ip , Xiaodai Cui , Cheuk Nang Ho
关键词: Random coil 、 DNA 、 Chemistry 、 Nucleotide 、 Analytical chemistry 、 Chemical shift 、 Proton 、 Correlation coefficient 、 k-nearest neighbors algorithm
摘要: Sixteen 17-nucleotide DNA sequences have been used to determine the sequence effect on random coil proton chemical shifts. Based shifts measured for central nucleotides in 64 triplets and correction factors determined next nearest neighbor effects, a parameter set has derived predicting The root-mean-square deviation (RMSD) between predicted observed aromatic H6/H8 of ∼200 data from 22 was be 0.02 ppm with correlation coefficient 0.998. For H1′, H2′, H2′′ H3′ sugar protons, RMSD values experimental were found 0.02, 0.03, 0.03 0.02 ppm, respectively.
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