From predictive modelling to machine learning and reverse engineering of colloidal self-assembly

M Dijkstra, E Luijten - Nature materials, 2021 - nature.com
An overwhelming diversity of colloidal building blocks with distinct sizes, materials and
tunable interaction potentials are now available for colloidal self-assembly. The application …

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 …

Systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

SP Kadaoluwa Pathirannahalage… - Journal of Chemical …, 2021 - ACS Publications
Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions,
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …

On the biophysics and kinetics of toehold-mediated DNA strand displacement

N Srinivas, TE Ouldridge, P Šulc… - Nucleic acids …, 2013 - academic.oup.com
Dynamic DNA nanotechnology often uses toehold-mediated strand displacement for
controlling reaction kinetics. Although the dependence of strand displacement kinetics on …

Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

AF Wallace, LO Hedges, A Fernandez-Martinez… - Science, 2013 - science.org
Recent experimental observations of the onset of calcium carbonate (CaCO3) mineralization
suggest the emergence of a population of clusters that are stable rather than unstable as …

Design, optimization and analysis of large DNA and RNA nanostructures through interactive visualization, editing and molecular simulation

E Poppleton, J Bohlin, M Matthies… - Nucleic acids …, 2020 - academic.oup.com
This work seeks to remedy two deficiencies in the current nucleic acid nanotechnology
software environment: the lack of both a fast and user-friendly visualization tool and a …

Ultrafast hole relaxation dynamics in quantum dots revealed by two-dimensional electronic spectroscopy

PJ Brosseau, JJ Geuchies, D Jasrasaria… - Communications …, 2023 - nature.com
Elucidating the population dynamics of correlated electron-hole pairs (bound excitons) in
semiconducting quantum dots (QDs) is key for developing our fundamental understanding of …

Localisation of DivIVA by targeting to negatively curved membranes

R Lenarcic, S Halbedel, L Visser, M Shaw, LJ Wu… - The EMBO …, 2009 - embopress.org
DivIVA is a conserved protein in Gram‐positive bacteria and involved in various processes
related to cell growth, cell division and spore formation. DivIVA is specifically targeted to cell …

Design of hidden thermodynamic driving for non-equilibrium systems via mismatch elimination during DNA strand displacement

NEC Haley, TE Ouldridge, I Mullor Ruiz… - Nature …, 2020 - nature.com
Recent years have seen great advances in the development of synthetic self-assembling
molecular systems. Designing out-of-equilibrium architectures, however, requires a more …

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 …