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In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are…

Soft Condensed Matter · Physics 2009-10-31 E. G. Timoshenko , Yu. A. Kuznetsov , K. A. Dawson

The dynamics of flexible polymers in dilute solution is usually described in terms of the pure Rouse or Zimm bead-spring models assuming continuous distribution of the internal relaxation modes. We show that this approach may lead to…

Soft Condensed Matter · Physics 2007-05-23 J. Tothova , B. Brutovsky , V. Lisy

We investigate, using numerical simulations, the conformations of isolated active ring polymers. We find that the their behaviour depends crucially on their size: short rings ($N \lesssim$ 100) are swelled whereas longer rings ($N \gtrsim$…

Soft Condensed Matter · Physics 2021-03-03 Emanuele Locatelli , Valentino Bianco , Paolo Malgaretti

We study translocation dynamics of a driven compressible semi-flexible chain consisting of alternate blocks of stiff ($S$) and flexible ($F$) segments of size $m$ and $n$ respectively for different chain length $N$ in two dimension (2D).…

Biological Physics · Physics 2015-06-19 Ramesh Adhikari , Aniket Bhattacharya

The tube model is a central concept in polymer physics, and allows to reduce the complex many-filament problem of an entangled polymer solution to a single filament description. We investigate the probability distribution function of…

Soft Condensed Matter · Physics 2009-08-12 Hauke Hinsch , Erwin Frey

We calculate the equation of state of DNA under tension for the case that the DNA features loops. Such loops occur transiently during DNA condensation in the presence of multivalent ions or sliding cationic protein linkers. The…

Biomolecules · Quantitative Biology 2007-05-23 I. M. Kulic , H. Mohrbach , R. Thaokar , H. Schiessel

The low-energy physics of (quasi)degenerate one-dimensional systems is typically understood as the particle-like dynamics of kinks between stable, ordered structures. Such dynamics, we show, becomes highly non-trivial when the ground states…

Soft Condensed Matter · Physics 2014-11-27 Cristiano Nisoli , Alexander V. Balatsky

We revisit the problem of semi-flexible chain condensation by neutral depleting agents (e.g. colloidal spheres or flexible polymers) by using a simple formalism that allows us to address its main features without specifying the kind of…

Soft Condensed Matter · Physics 2009-11-10 M. Castelnovo , W. M. Gelbart

The simplest model of DNA mechanics describes the double helix as a continuous rod with twist and bend elasticity. Recent work has discussed the relevance of a little-studied coupling $G$ between twisting and bending, known to arise from…

Statistical Mechanics · Physics 2019-04-08 Stefanos K. Nomidis , Enrico Skoruppa , Enrico Carlon , John F. Marko

We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability…

Soft Condensed Matter · Physics 2015-05-14 Behnaz Bozorgui , Maya Sen , William L. Miller , Josep C. Pamies , Angelo Cacciuto

The reorientation dynamics of local tangent vectors of chains in isotropic amorphous melts containing semiflexible model polymers was studied by molecular dynamics simulations. The reorientation is strongly influenced both by the local…

Soft Condensed Matter · Physics 2016-08-15 Roland Faller , Florian Müller-Plathe , Andreas Heuer

We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed…

Materials Science · Physics 2015-05-28 Riccardo Fantoni , Kristian K. Muller-Nedebock

For short DNA molecules in crowded environments, we evaluate macroscopic parameters such as the average end-to-end distance and the twist conformation by tuning the strength of the site specific confinement driven by the crowders. The…

Soft Condensed Matter · Physics 2019-06-14 Marco Zoli

We use an elastic rod model with contact to study the extension versus rotation diagrams of single supercoiled DNA molecules. We reproduce quantitatively the supercoiling response of overtwisted DNA and, using experimental data, we get an…

Biomolecules · Quantitative Biology 2013-05-29 Sebastien Neukirch

The closure dynamics of a pre-equilibrated DNA denaturation bubble is studied using both Brownian dynamics simulations and an analytical approach. The numerical model consists of two semi-flexible interacting single strands (ssDNA) and a…

Soft Condensed Matter · Physics 2012-05-31 Anil Kumar Dasanna , Nicolas Destainville , John Palmeri , Manoel Manghi

We modify and extend the recently developed statistical mechanical model for predicting the thermodynamic properties of chain molecules having noncovalent double-stranded conformations, as in RNA or ssDNA, and $\beta-$sheets in protein, by…

Soft Condensed Matter · Physics 2009-11-07 Fei Liu , Luru Dai , Zhong-can Ou-Yang

Based on the wormlike chain model, a coarse-grained description of the nonlinear dynamics of a weakly bending semiflexible polymer is developed. By means of a multiple scale perturbation analysis, a length-scale separation inherent to the…

Soft Condensed Matter · Physics 2007-12-04 Oskar Hallatschek , Erwin Frey , Klaus Kroy

A lattice model is used to estimate the self-diffusivity of entangled cyclic and linear polymers in blends of varying compositions. To interpret simulation results, we suggest a minimal model based on the physical idea that constraints…

Soft Condensed Matter · Physics 2022-03-21 Sachin Shanbhag

The properties of a semiflexible polymer with fixed ends exposed to oscillatory shear flow are investigated by simulations. The two-dimensionally confined polymer is modeled as a linear bead-spring chain, and the interaction with the fluid…

Soft Condensed Matter · Physics 2021-12-14 Antonio Lamura , Roland G. Winkler

We establish a framework for assessing whether the transition state location of a biopolymer, which can be inferred from single molecule pulling experiments, corresponds to the ensemble of structures that have equal probability of reaching…

Soft Condensed Matter · Physics 2015-05-27 Greg Morrison , Changbong Hyeon , Michael Hinczewski , D. Thirumalai