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Nominated as an outstanding contribution by the University of Oxford
Presents a novel model with remarkable explanatory power
Holds important potential for dynamic DNA nanotechnology
This thesis presents a novel coarse-grained model of DNA, in which bases are represented as rigid nucleotides. The model is shown to quantitatively reproduce many phenomena, including elastic properties of the double-stranded state, hairpin formation in single strands and hybridization of pairs of strands to form duplexes, the first time such a wide range of properties has been captured by a coarse-grained model. The scope and potential of the model is demonstrated by simulating DNA tweezers, an iconic nanodevice, and a two-footed DNA walker — the first time that coarse-grained modelling has been applied to dynamic DNA nanotechnology.
Content Level »Research
Keywords »Biological Motors - Coarse Grained Molecular Simulation - DNA Nanotechnology - DNA Tweezers - DNA Walker - Molecular Self-Assembly - Monte Carlo Algorithms