| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395049 | Computational and Theoretical Chemistry | 2011 | 6 Pages |
Abstract
⺠The optimized-in-aqueous-solution geometry structures of complexes 1 and 2 were docked into DNA using the Dock6.0 program. ⺠The whole models (complex-DNA) were obtained. ⺠The trend in DNA-binding affinities of complexes was reasonably explained by the DNA-binding energies and strong H-bonds. ⺠The electronic absorption spectra of DNA-docking models were calculated and simulated using the TDDFT method. ⺠The intense absorption spectra measured experimentally of Co(Ш) complexes intercalating DNA can be explained in detail.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ti-Fang Miao, Shuang Li, Lian-Cai Xu, Kang-Cheng Zheng,