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Chirality transfer in lyotropic twist-bend nematics
Anna Ashkinazi, Hemani Chhabra, Anouar El Moumane +2
Using molecular simulations and classical density functional theory, we study the liquid-crystalline phase behaviour of a series of bent rod-like mesogens with a controlled degree…
A patchy-particle 3-dimensional octagonal quasicrystal
Akie Kowaguchi, Savan Mehta, Jonathan P. K. Doye +1
We devise an ideal 3-dimensional octagonal quasicrystal that is based upon the 2-dimensional Ammann-Beenker tiling and that is potentially suitable for realization with patchy part…
A one-component patchy-particle icosahedral quasicrystal
Eva G. Noya, Jonathan P. K. Doye
Designing particles that are able to form icosahedral quasicrystals (IQCs) and that are as simple as possible is not only of fundamental interest but is also important to the poten…
Coarse-grained modelling of DNA-RNA hybrids
Eryk J. Ratajczyk, Petr Šulc, Andrew J. Turberfield +2
We introduce oxNA, a new model for the simulation of DNA-RNA hybrids which is based on two previously developed coarse-grained models$\unicode{x2014}$oxDNA and oxRNA. The model nat…
The free-energy landscape of a mechanically bistable DNA origami
Chak Kui Wong, Jonathan P. K. Doye
Molecular simulations using coarse-grained models allow the structure, dynamics and mechanics of DNA origamis to be comprehensively characterized. Here, we focus on the free-energy…
Free-energy landscapes of DNA and its assemblies: Perspectives from coarse-grained modelling
Jonathan P. K. Doye, Ard A. Louis, John S. Schreck +5
This chapter will provide an overview of how characterizing free-energy landscapes can provide insights into the biophysical properties of DNA, as well as into the behaviour of the…