Coarse-graining DNA for simulations of DNA nanotechnology.
@article{Doye2013CoarsegrainingDF, title={Coarse-graining DNA for simulations of DNA nanotechnology.}, author={Jonathan P. K. Doye and Thomas E. Ouldridge and Ard A. Louis and Flavio Romano and Petr {\vS}ulc and Christian Matek and Benedict E. K. Snodin and Lorenzo Rovigatti and John S. Schreck and Ryan M. Harrison and William P J Smith}, journal={Physical chemistry chemical physics : PCCP}, year={2013}, volume={15 47}, pages={ 20395-414 } }
To simulate long time and length scale processes involving DNA it is necessary to use a coarse-grained description. Here we provide an overview of different approaches to such coarse-graining, focussing on those at the nucleotide level that allow the self-assembly processes associated with DNA nanotechnology to be studied. OxDNA, our recently-developed coarse-grained DNA model, is particularly suited to this task, and has opened up this field to systematic study by simulations. We illustrate…
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