From a melt of rings to chromosome territories: the role of topological constraints in genome folding
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 …
constraints are behind many aspects of chromatin folding in eukaryotic cells. For that …
Macrocyclic polymers: Synthesis, purification, properties and applications
J Ochs, CA Pagnacco, F Barroso-Bujans - Progress in Polymer Science, 2022 - Elsevier
Cyclic polymers present a topology that differ significantly from their linear counterparts due
to their circular structure and therefore, the lack of chain ends. These simple characteristics …
to their circular structure and therefore, the lack of chain ends. These simple characteristics …
Modeling and simulations of polymers: a roadmap
TE Gartner III, A Jayaraman - Macromolecules, 2019 - ACS Publications
Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …
engineering community. These computational approaches enable predictions and provide …
Facile mechanochemical cycloreversion of polymer cross-linkers enhances tear resistance
The mechanical properties of covalent polymer networks often arise from the permanent end-
linking or cross-linking of polymer strands, and molecular linkers that break more easily …
linking or cross-linking of polymer strands, and molecular linkers that break more easily …
Modeling epigenome folding: formation and dynamics of topologically associated chromatin domains
Genomes of eukaryotes are partitioned into domains of functionally distinct chromatin states.
These domains are stably inherited across many cell generations and can be remodeled in …
These domains are stably inherited across many cell generations and can be remodeled in …
Stochastic motion and transcriptional dynamics of pairs of distal DNA loci on a compacted chromosome
Chromosomes in the eukaryotic nucleus are highly compacted. However, for many
functional processes, including transcription initiation, the pairwise motion of distal …
functional processes, including transcription initiation, the pairwise motion of distal …
Kremer–Grest models for commodity polymer melts: Linking theory, experiment, and simulation at the Kuhn scale
The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer
properties in molecular dynamics simulations. It owes its popularity to its simplicity and …
properties in molecular dynamics simulations. It owes its popularity to its simplicity and …
Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics
Molecular dynamics simulations were conducted to investigate the structural properties of
melts of nonconcatenated ring polymers and compared to melts of linear polymers. The …
melts of nonconcatenated ring polymers and compared to melts of linear polymers. The …
Understanding and modeling polymers: The challenge of multiple scales
F Schmid - ACS Polymers Au, 2022 - ACS Publications
Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …
macromolecule involves a multitude of scales, and cooperative processes in polymer …
Nonlinear shear rheology of entangled polymer rings
Steady-state shear viscosity η (γ̇) of unconcatenated ring polymer melts as a function of the
shear rate γ̇ is studied by a combination of experiments, simulations, and theory …
shear rate γ̇ is studied by a combination of experiments, simulations, and theory …