2015
DOI: 10.1039/c4sm02099e
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Effects of topological constraints on globular polymers

Abstract: Topological constraints can affect both equilibrium and dynamic properties of polymer systems, and can play a role in the organization of chromosomes. Despite many theoretical studies, the effects of topological constraints on the equilibrium state of a single compact polymer have not been systematically studied. Here we use simulations to address this longstanding problem. We find that sufficiently long unknotted polymers differ from knotted ones in the spatial and topological states of their subchains. The u… Show more

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Cited by 66 publications
(84 citation statements)
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References 43 publications
(146 reference statements)
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“…Simulations were initialized from a compact polymer conformation, as described in 64 , created on a cubic lattice a box of the size (PBC box – 2). Prior to a block of simulations, LEF dynamics were advanced by 500,000 steps.…”
Section: On-line Methodsmentioning
confidence: 99%
“…Simulations were initialized from a compact polymer conformation, as described in 64 , created on a cubic lattice a box of the size (PBC box – 2). Prior to a block of simulations, LEF dynamics were advanced by 500,000 steps.…”
Section: On-line Methodsmentioning
confidence: 99%
“…In 2015 we have performed in [50] extensive Monte-Carlo simulations for self-avoiding polymer chains in confined geometry in 3D space. The role of topological constraints in the equilibrium state of a single compact and unknotted polymer remains unknown.…”
Section: Crumpled Globule: Topological Correlations In Collapsed Umentioning
confidence: 99%
“…A longlived, metastable state is obtained, due to the time-scale separation between the fast collapse process and further rearrangements that are much slower. (As noted above, other crumpled globule metastable states may also exist [4][5][6]22], at later times.) Now, let d …”
mentioning
confidence: 99%
“…However, they do not agree upon its fractal nature. In particular, the expected scaling r m ∼ m 1=d has not been conclusively confirmed, even with the largest size simulations (recently extended to polymers of up to 250 000 monomers [6,22]). This implies either a very large crossover scale before fractal behavior is clearly manifested, or else that the collapsed state is not strictly self-similar.…”
mentioning
confidence: 99%
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