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 …

Equilibrium gels of limited valence colloids

F Sciortino, E Zaccarelli - Current opinion in colloid & interface science, 2017 - Elsevier
Gels are low-packing arrested states of matter which are able to support stress. On cooling,
limited valence colloidal particles form open networks stabilized by the progressive increase …

Phase separation vs aggregation behavior for model disordered proteins

U Rana, CP Brangwynne… - The Journal of chemical …, 2021 - pubs.aip.org
Liquid–liquid phase separation (LLPS) is widely utilized by the cell to organize and regulate
various biochemical processes. Although the LLPS of proteins is known to occur in a …

Selective transformations between nanoparticle superlattices via the reprogramming of DNA-mediated interactions

Y Zhang, S Pal, B Srinivasan, T Vo, S Kumar… - Nature materials, 2015 - nature.com
The rapid development of self-assembly approaches has enabled the creation of materials
with desired organization of nanoscale components. However, achieving dynamic control …

[HTML][HTML] Salt dependent phase behavior of intrinsically disordered proteins from a coarse-grained model with explicit water and ions

A Garaizar, JR Espinosa - The Journal of chemical physics, 2021 - pubs.aip.org
Multivalent proteins and nucleic acids can self-assemble into biomolecular condensates that
contribute to compartmentalize the cell interior. Computer simulations offer a unique view to …

RNA length has a non-trivial effect in the stability of biomolecular condensates formed by RNA-binding proteins

I Sanchez-Burgos, JR Espinosa… - PLoS computational …, 2022 - journals.plos.org
Biomolecular condensates formed via liquid–liquid phase separation (LLPS) play a crucial
role in the spatiotemporal organization of the cell material. Nucleic acids can act as critical …

Expansion of intrinsically disordered proteins increases the range of stability of liquid–liquid phase separation

A Garaizar, I Sanchez-Burgos, R Collepardo-Guevara… - Molecules, 2020 - mdpi.com
Proteins containing intrinsically disordered regions (IDRs) are ubiquitous within
biomolecular condensates, which are liquid-like compartments within cells formed through …

A comparison between parallelization approaches in molecular dynamics simulations on GPUs

L Rovigatti, P Šulc, IZ Reguly… - Journal of computational …, 2015 - Wiley Online Library
We test the relative performances of two different approaches to the computation of forces for
molecular dynamics simulations on graphics processing units. A “vertex‐based” approach …

'RNA modulation of transport properties and stability in phase-separated condensates

AR Tejedor, A Garaizar, J Ramírez, JR Espinosa - Biophysical Journal, 2021 - cell.com
One of the key mechanisms employed by cells to control their spatiotemporal organization is
the formation and dissolution of phase-separated condensates. The balance between …

Structural properties of the dipolar hard-sphere fluid at low temperatures and densities

L Rovigatti, J Russo, F Sciortino - Soft Matter, 2012 - pubs.rsc.org
Through extensive state-of-the-art numerical simulations, we study the behavior of the
dipolar hard sphere model at low temperatures and low densities, shedding light on a region …