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Coarse-Grained Modelling of DNA and DNA Self-Assembly

Thomas E. Ouldridge

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Springer Berlin img Link Publisher

Naturwissenschaften, Medizin, Informatik, Technik / Biochemie, Biophysik

Beschreibung

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.

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Schlagwörter

Biological Motors, DNA Walker, Monte Carlo Algorithms, DNA Tweezers, DNA Nanotechnology, Molecular Self-Assembly, Coarse Grained Molecular Simulation