Williams A L, Cheong C, Tinoco I, Clark L B
Nucleic Acids Res. 1986 Aug 26;14(16):6649-59. doi: 10.1093/nar/14.16.6649.
Calculated circular dichroism spectra are presented for double-stranded polynucleotides of regular sequences in A-RNA, A-DNA, B-DNA, and Z-DNA conformations. Quantum mechanical matrix method calculations were carried out in the near and vacuum ultraviolet regions. In the near UV, the calculated spectra agreed qualitatively with the measured spectra. However in the far and vacuum UV, the calculated CD compared nearly quantitatively with the experimental spectra. The calculations show that the sign of the CD in the vacuum UV, in contrast to that in the near UV, can be correlated with the handedness of the helix.
本文给出了具有A-RNA、A-DNA、B-DNA和Z-DNA构象的规则序列双链多核苷酸的计算圆二色光谱。采用量子力学矩阵方法在近紫外和真空紫外区域进行了计算。在近紫外区域，计算光谱与测量光谱在定性上相符。然而，在远紫外和真空紫外区域，计算得到的圆二色光谱与实验光谱几乎在定量上相符。计算结果表明，与近紫外区域不同，真空紫外区域圆二色光谱的符号与螺旋的手性相关。
