Multiscale modelling of DNA mechanics
Language English Country Great Britain, England Media print-electronic
Document type Journal Article, Research Support, Non-U.S. Gov't, Review
- MeSH
- DNA chemistry MeSH
- Humans MeSH
- Molecular Conformation MeSH
- Models, Molecular * MeSH
- Nanotechnology MeSH
- Molecular Dynamics Simulation * MeSH
- Systems Biology MeSH
- Animals MeSH
- Check Tag
- Humans MeSH
- Animals MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Review MeSH
- Names of Substances
- DNA MeSH
Mechanical properties of DNA are important not only in a wide range of biological processes but also in the emerging field of DNA nanotechnology. We review some of the recent developments in modeling these properties, emphasizing the multiscale nature of the problem. Modern atomic resolution, explicit solvent molecular dynamics simulations have contributed to our understanding of DNA fine structure and conformational polymorphism. These simulations may serve as data sources to parameterize rigid base models which themselves have undergone major development. A consistent buildup of larger entities involving multiple rigid bases enables us to describe DNA at more global scales. Free energy methods to impose large strains on DNA, as well as bead models and other approaches, are also briefly discussed.
References provided by Crossref.org
Temperature-dependent elasticity of DNA, RNA, and hybrid double helices
Long-timescale dynamics of the Drew-Dickerson dodecamer