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We investigate the translocation dynamics of heteropolymers driven through a nanopore using a constant temperature Langevin thermostat. Specifically, we consider heteropolymers consisting of two types of monomers labeled A and B, which are…

Soft Condensed Matter · Physics 2007-05-23 Kaifu Luo , Tapio Ala-Nissila , See-Chen Ying , Aniket Bhattacharya

Polymer translocation in crowded environments is a ubiquitous phenomenon in biological systems. We studied polymer translocation through a pore in free, one-sided (asymmetric), and two-sided (symmetric) crowded environments. Extensive…

Soft Condensed Matter · Physics 2024-03-01 Vrinda Garg , Rejoy Mathew , Riyan Ibrahim , Kulveer Singh , Surya K. Ghosh

We consider the flow-driven translocation of single polymer chains through nanochannels. Using analytical calculations based on the de Gennes blob model and mesoscopic numerical simulations, we estimate the threshold flux for the…

Soft Condensed Matter · Physics 2011-10-26 Rodrigo Ledesma-Aguilar , Takahiro Sakaue , Julia M. Yeomans

We consider the dynamics of a translocation process of a flexible linear polymer through a nanopore into an environment of active rods in the {\it trans} side. Using Langevin dynamics simulations we find that the rods facilitate…

Soft Condensed Matter · Physics 2022-11-15 Hamidreza Khalilian , Jalal Sarabadani , Tapio Ala-Nissila

We investigate polymer translocation through a nanopore under a pulling force using Langevin dynamics simulations. We concentrate on the influence of the chain length $N$ and the pulling force $F$ on the translocation time $\tau$. The…

Soft Condensed Matter · Physics 2007-06-27 Ilkka Huopaniemi , Kaifu luo , Tapio Ala-Nissila , See-Chen Ying

We investigate the influence of polymer-pore interactions on the translocation dynamics using Langevin dynamics simulations. An attractive interaction can greatly improve translocation probability. At the same time, it also increases…

Soft Condensed Matter · Physics 2007-10-01 Kaifu Luo , Tapio Ala-Nissila , See-chen Ying , Aniket Bhattacharya

The translocation of biopolymers, such as DNA and proteins, across cellular or nuclear membranes is essential for numerous biological processes. The translocation dynamics are influenced by the properties of the polymers, such as polymer…

Soft Condensed Matter · Physics 2024-07-29 Gokul Upadhyay , Rajeev Kapri , Anil Kumar Dasanna , Abhishek Chaudhuri

We employ 3D Langevin Dynamics simulations to study the dynamics of polymer chains translocating through a nanopore in presence of asymmetric solvent conditions. Initially a large fraction ($>$ 50%) of the chain is placed at the…

Soft Condensed Matter · Physics 2010-06-09 Christopher Lorscher , Tapio Ala-Nissila , Aniket Bhattacharya

We study pore blockade times for a translocating polymer of length $N$, driven by a field $E$ across the pore in three dimensions. The polymer performs Rouse dynamics, i.e., we consider polymer dynamics in the absence of hydrodynamical…

Soft Condensed Matter · Physics 2008-02-15 Henk Vocks , Debabrata Panja , Gerard T. Barkema , Robin C. Ball

We perform two-dimensional Langevin dynamics simulations of electric-field driven polymer translocation through an attractive nanopore. We investigate the effect of the location of the attractive region using different pore patterns. This…

Soft Condensed Matter · Physics 2015-06-15 F Piguet , D P Foster

We study the translocation process of a polymer in the absence of external fields for various pore diameters $b$ and membrane thickness $L$. The polymer performs Rouse and reptation dynamics. The mean translocation time $<\tau_t>$ that the…

Soft Condensed Matter · Physics 2007-05-23 Joanne Klein Wolterink , Gerard T. Barkema , Debabrata Panja

The low temperature transport of electron, or vibrational or electronic exciton towards polymer chains turns out to be dramatically sensitive to its interaction with transverse acoustic vibrations. We show that this interaction leads to…

Mesoscale and Nanoscale Physics · Physics 2021-06-23 Alexei Boulatov , Alexander L. Burin

We consider the escape of a flexible, self-avoiding polymer chain out of a confined geometry. By means of simulations, we demonstrate that the translocation time can be described by a simple scaling law that exhibits a nonlinear dependence…

Soft Condensed Matter · Physics 2009-11-11 Angelo Cacciuto , Erik Luijten

The transport of biomolecules across a cell membrane is an important phenomena that plays a pivotal role in the functioning of biological cells. In this paper, we investigate such processes by modeling the translocation of polymers through…

Soft Condensed Matter · Physics 2022-11-01 Andri Sharma

Motivated by experiments in which a polynucleotide is driven through a proteinaceous pore by an electric field, we study the diffusive motion of a polymer threaded through a narrow channel with which it may have strong interactions. We show…

Biological Physics · Physics 2009-10-31 David K. Lubensky , David R. Nelson

We investigated the translation of a protein through model nanopores using coarse-grained (CG) non-equilibrium molecular dynamics (NEMD) simulations and compared the mobilities with those obtained from previous coarse-grained equilibrium…

Computational Physics · Physics 2018-06-27 Navaneeth Haridasan , Sridhar Kumar Kannam , Santosh Mogurampelly , Sarith P Sathian

Predicting the three-dimensional (3D) functional structures of proteins remains an important computational milestone in molecular biology to be achieved. This feat is hinged on a clear understanding of the mechanism which proteins use to…

Biomolecules · Quantitative Biology 2019-11-28 Samuel Nkrumah

We investigate the dynamics of DNA translocation through a nanopore driven by an external force using Langevin dynamics simulations in two dimensions (2D) to study how the translocation dynamics depend on the details of the DNA sequences.…

Soft Condensed Matter · Physics 2008-12-09 Kaifu Luo , Tapio Ala-Nissila , See-Chen Ying , Aniket Bhattacharya

We study the translocation of a semiflexible polymer through extended pores with patterned stickiness, using Langevin dynamics simulations. We find that the consequence of pore patterning on the translocation time dynamics is dramatic and…

Soft Condensed Matter · Physics 2018-05-02 Rajneesh Kumar , Abhishek Chaudhuri , Rajeev Kapri

We investigate the problem of polymer translocation through a nanopore in the absence of an external driving force. To this end, we use the two-dimensional (2D) fluctuating bond model with single-segment Monte Carlo moves. To overcome the…

Computational Physics · Physics 2012-12-06 Kaifu Luo , Tapio Ala-Nissila , See-chen Ying