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Stochastic simulations of coarse-grained protein models are used to investigate the propensity to form knots in early stages of protein folding. The study is carried out comparatively for two homologous carbamoyltransferases, a…

Biomolecules · Quantitative Biology 2015-06-04 T. Skrbic , C. Micheletti , P. Faccioli

We discuss the entropy of a circular polymer under a topological constraint. We call it the {\it topological entropy} of the polymer, in short. A ring polymer does not change its topology (knot type) under any thermal fluctuations. Through…

Statistical Mechanics · Physics 2009-11-07 Miyuki K. Shimamura , Tetso Deguchi

Semiflexible polymer models are widely used as a paradigm to understand structural phases in biomolecules including folding of proteins. Since stable knots are not so common in real proteins, the existence of stable knots in semiflexible…

Soft Condensed Matter · Physics 2021-07-14 Suman Majumder , Martin Marenz , Subhajit Paul , Wolfhard Janke

In this work we study the assisted translocation of a polymer across a membrane nanopore, inside which a molecular motor exerts a force fuelled by the hydrolysis of ATP molecules. In our model the motor switches to its active state for a…

Soft Condensed Matter · Physics 2018-03-26 A. Fiasconaro , J. J. Mazo , F. Falo

Force-driven chemical reactions have emerged as an attractive platform for diverse applications in polymeric materials. However, the network topologies necessary for efficiently transducing macroscopic forces to the molecular scale are not…

Soft Condensed Matter · Physics 2021-10-26 Zijian Huo , Stephen J. Skala , Lavinia Falck , Jennifer E. Laaser , Antonia Statt

Actin is one of the most studied cytoskeleton proteins showing a very rich span of structures. It can self-assemble actively into dynamical structures that govern the mechanical properties of the cell, its motility and its division.…

Soft Condensed Matter · Physics 2020-03-17 Maayan Levin , Raya Sorkin , David Pine , Rony Granek , Anne Bernheim-Groswasser , Yael Roichman

We consider the problem of an inextensible but flexible fiber advected by a steady chaotic flow, and ask the simple question whether the fiber can spontaneously knot itself. Using a 1D Cosserat model, a simple local viscous drag model and…

Soft Condensed Matter · Physics 2021-04-21 Benjamin Favier

Active filament-like systems propelling along their backbone exist across the scales ranging from motor-driven bio-filaments to worms and robotic chains. In macroscopic active filaments such as chain of robots, in contrast to their…

Soft Condensed Matter · Physics 2023-10-04 Mohammad Fazelzadeh , Ehsan Irani , Zahra Mokhtari , Sara Jabbari-Farouji

We study RNA foldings and investigate their topology using a combination of knot theory and embedded rigid vertex graphs. Knot theory has been helpful in modeling biomolecules, but classical knots place emphasis on a biomolecule's…

Geometric Topology · Mathematics 2022-07-28 Jose Ceniceros , Mohamed Elhamdadi , Josef Komissar , Hitakshi Lahrani

Knots in proteins have been proposed to resist proteasomal degradation. Ample evidence associates proteasomal degradation with neurodegeneration. One interesting possibility is that indeed knotted conformers stall this machinery leading to…

Biomolecules · Quantitative Biology 2016-10-17 Michał Wojciechowski , Àngel Gómez-Sicilia , Mariano Carrión-Vázquez , Marek Cieplak

Interactions between active individuals in animal collectives lead to emergent responses that remain elusive in synthetic soft matter. Here, shape-morphing polymers are used to create bio-inspired transient solids that self-assemble with…

Knitting turns yarn, a 1D material, into a 2D fabric that is flexible, durable [1], and can be patterned to adopt a wide range of 3D geometries [2]. Like other mechanical metamaterials [3], the elasticity of knitted fabrics is an emergent…

Topological defects play a central role in the physics of many materials, including magnets, superconductors and liquid crystals. In active fluids, defects become autonomous particles that spontaneously propel from internal active stresses…

Soft Condensed Matter · Physics 2024-06-12 Suraj Shankar , Luca V. D. Scharrer , Mark J. Bowick , M. Cristina Marchetti

Equilibrium self-assembly and conventional materials processing techniques fall far short of mimicking dynamic self-actuating processes that are commonplace throughout biology. To bridge the gap between living and synthetic matter, we study…

The viscous flow of polymer chains in dense melts is dominated by topological constraints whenever the single chain contour length, N, becomes larger than the characteristic scale Ne, defining comprehensively the macroscopic rheological…

Soft Condensed Matter · Physics 2023-07-19 Mattia Alberto Ubertini , Angelo Rosa

The effects of entanglement in solutions and melts of unknotted ring polymers have been addressed by several theoretical and numerical studies. The system properties have been typically profiled as a function of ring contour length at fixed…

Soft Condensed Matter · Physics 2011-11-29 Angelo Rosa , Enzo Orlandini , Luca Tubiana , Cristian Micheletti

We study the viscoelastic properties of highly entangled, flexible, self-propelled polymers using Brownian dynamics simulations. Our results show that the active motion of the polymer increases the height of the stress plateau by orders of…

Soft Condensed Matter · Physics 2023-10-05 Davide Breoni , Christina Kurzthaler , Benno Liebchen , Hartmut Löwen , Suvendu Mandal

We present a numerical study of the effect of knotting on the ejection of flexible and semiflexible polymers from a spherical, virus-like capsid. The polymer ejection rate is primarily controlled by the knot, which moves to the hole in the…

Biomolecules · Quantitative Biology 2009-02-23 R Matthews , A. A. Louis , J. M. Yeomans

The ongoing effort to detect and characterize physical entanglement in biopolymers has so far established that knots are present in many globular proteins and also abound in viral DNA packaged inside bacteriophages. RNA molecules, on the…

Biomolecules · Quantitative Biology 2014-10-08 Cristian Micheletti , Marco Di Stefano , Henri Orland

Active emulsions and liquid crystalline shells are intriguing and experimentally realisable types of topological matter. Here we numerically study the morphology and spatiotemporal dynamics of a double emulsion, where one or two passive…

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