A primer on the oxDNA model of DNA: when to use it, how to simulate it and how to interpret the results

A Sengar, TE Ouldridge, O Henrich… - Frontiers in Molecular …, 2021 - frontiersin.org
The oxDNA model of Deoxyribonucleic acid has been applied widely to systems in biology,
biophysics and nanotechnology. It is currently available via two independent open source …

Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model

TE Ouldridge, AA Louis, JPK Doye - The Journal of chemical physics, 2011 - pubs.aip.org
We explore in detail the structural, mechanical, and thermodynamic properties of a coarse-
grained model of DNA similar to that recently introduced in a study of DNA nanotweezers …

Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

BEK Snodin, F Randisi, M Mosayebi, P Šulc… - The Journal of …, 2015 - pubs.aip.org
We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic
acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of …

Sequence-dependent thermodynamics of a coarse-grained DNA model

P Šulc, F Romano, TE Ouldridge, L Rovigatti… - The Journal of …, 2012 - pubs.aip.org
originally designed to reproduce the properties of DNA molecules with average sequences.
The new parametrization introduces sequence-dependent stacking and base-pairing …

An experimentally-informed coarse-grained 3-site-per-nucleotide model of DNA: Structure, thermodynamics, and dynamics of hybridization

DM Hinckley, GS Freeman, JK Whitmer… - The Journal of chemical …, 2013 - pubs.aip.org
A new 3-Site-Per-Nucleotide coarse-grained model for DNA is presented. The model
includes anisotropic potentials between bases involved in base stacking and base pair …

Guiding the folding pathway of DNA origami

KE Dunn, F Dannenberg, TE Ouldridge… - Nature, 2015 - nature.com
DNA origami is a robust assembly technique that folds a single-stranded DNA template into
a target structure by annealing it with hundreds of short 'staple'strands,,,. Its guiding design …

Coarse-graining DNA for simulations of DNA nanotechnology

JPK Doye, TE Ouldridge, AA Louis… - Physical Chemistry …, 2013 - pubs.rsc.org
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 …

The importance of thermodynamics for molecular systems, and the importance of molecular systems for thermodynamics

TE Ouldridge - Natural computing, 2018 - Springer
Improved understanding of molecular systems has only emphasised the sophistication of
networks within the cell. Simultaneously, the advance of nucleic acid nanotechnology, a …

DNA nanotweezers studied with a coarse-grained model of DNA

TE Ouldridge, AA Louis, JPK Doye - Physical Review Letters, 2010 - APS
We introduce a coarse-grained rigid nucleotide model of DNA that reproduces the basic
thermodynamics of short strands, duplex hybridization, single-stranded stacking, and hairpin …

A nucleotide-level coarse-grained model of RNA

P Šulc, F Romano, TE Ouldridge, JPK Doye… - The Journal of chemical …, 2014 - pubs.aip.org
We present a new, nucleotide-level model for RNA, oxRNA, based on the coarse-graining
methodology recently developed for the oxDNA model of DNA. The model is designed to …