Moving beyond Watson-Crick models of coarse grained DNA dynamics

作者:Linak Margaret C*; Tourdot Richard; Dorfman Kevin D
来源:Journal of Chemical Physics, 2011, 135(20): 205102.
DOI:10.1063/1.3662137

摘要

DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

  • 出版日期2011-11-28