From a melt of rings to chromosome territories: the role of topological constraints in genome folding

JD Halverson, J Smrek, K Kremer… - Reports on Progress in …, 2014 - iopscience.iop.org
We review pro and contra of the hypothesis that generic polymer properties of topological
constraints are behind many aspects of chromatin folding in eukaryotic cells. For that …

Using Monte Carlo to simulate complex polymer systems: Recent progress and outlook

VG Mavrantzas - Frontiers in Physics, 2021 - frontiersin.org
Metropolis Monte Carlo has been employed with remarkable success over the years to
simulate the dense phases of polymer systems. Owing, in particular, to the freedom it …

Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics

JD Halverson, WB Lee, GS Grest… - The Journal of …, 2011 - pubs.aip.org
Molecular dynamics simulations were conducted to investigate the structural properties of
melts of nonconcatenated ring polymers and compared to melts of linear polymers. The …

50th Anniversary Perspective: Polymer ConformationA Pedagogical Review

ZG Wang - Macromolecules, 2017 - ACS Publications
The study of the conformation properties of macromolecules is at the heart of polymer
science. Essentially all physical properties of polymers are manifestations of the underlying …

Rheology of ring polymer melts: From linear contaminants to ring-linear blends

JD Halverson, GS Grest, AY Grosberg, K Kremer - Physical review letters, 2012 - APS
Ring polymers remain a challenge to our understanding of polymer dynamics. Experiments
are difficult to interpret because of the uncertainty in the purity and dispersity of the sample …

Ring polymers in the melt state: the physics of crumpling

A Rosa, R Everaers - Physical review letters, 2014 - APS
The conformational statistics of ring polymers in melts or dense solutions is strongly affected
by their quenched microscopic topological state. The effect is particularly strong for …

Topology Matters: Conformation and Microscopic Dynamics of Ring Polymers

M Kruteva, J Allgaier, D Richter - Macromolecules, 2023 - ACS Publications
Ring polymers have fascinated theorists, simulators, and experimentalists as they are the
simplest polymer without ends, giving rise to important topology related properties. We …

Annealed lattice animal model and Flory theory for the melt of non-concatenated rings: towards the physics of crumpling

AY Grosberg - Soft Matter, 2014 - pubs.rsc.org
A Flory theory is constructed for a long polymer ring in a melt of unknotted and non-
concatenated rings. The theory assumes that the ring forms an effective annealed branched …

Melt structure and dynamics of unentangled polyethylene rings: Rouse theory, atomistic molecular dynamics simulation, and comparison with the linear analogues

G Tsolou, N Stratikis, C Baig, PS Stephanou… - …, 2010 - ACS Publications
Atomistic configurations of model unentangled ring polyethylene (PE) melts ranging in chain
length from C24 up to C400 have been subjected to detailed molecular dynamics (MD) …

Threading of unconcatenated ring polymers at high concentrations: double-folded vs time-equilibrated structures

J Smrek, K Kremer, A Rosa - ACS macro letters, 2019 - ACS Publications
Unconcatenated ring polymers in concentrated solutions and melt are remarkably well
described as double-folded conformations on randomly branched primitive trees. This …