Thermal properties of knotted block copolymer rings with charged monomers subjected to short-range interactions

NA Taklimi, F Ferrari, MR Piątek, L Tubiana - Physical Review E, 2023 - APS
The thermal properties of coarse-grained knotted copolymer rings fluctuating in a highly
screening solution are investigated on a simple cubic lattice using the Wang-Landau Monte …

Effect of Counterion Size on Knotted Polyelectrolyte Conformations

A Tagliabue, C Micheletti, M Mella - The Journal of Physical …, 2024 - ACS Publications
Using Langevin dynamics simulations and a coarse-grained primitive model of electrolytes,
we show that the behavior of knotted circular strong polyelectrolytes (PEs) in diluted …

Unveiling the transition of tumbling and tank-treading dynamics of star-shaped polyelectrolytes in shear flow by modulating the solution's dielectric properties

B Peng, L Liu, D Wang - The Journal of Chemical Physics, 2024 - pubs.aip.org
The effects of the solution's dielectric properties on the conformation and dynamics of star-
shaped polyelectrolytes in shear flow are investigated using a hybrid simulation method …

A contact map method to capture the features of knot conformations

NA Taklimi, F Ferrari, MR Piątek, L Tubiana - arXiv preprint arXiv …, 2024 - arxiv.org
Inspired by recent advances in the chromosome capture techniques, a method is proposed
to study the structural organization of systems of polymers rings with topological constraints …