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We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the…

Biological Physics · Physics 2011-11-10 Maria Fyta , Simone Melchionna , Efthimios Kaxiras , Sauro Succi

We present a multiscale approach to the modeling of polymer dynamics in the presence of a fluid solvent. The approach combines Langevin Molecular Dynamics (MD) techniques with a mesoscopic Lattice-Boltzmann (LB) method for the solvent…

Biological Physics · Physics 2007-05-23 Maria G. Fyta , Simone Melchionna , Efthimios Kaxiras , Sauro Succi

We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a mesoscopic Lattice Boltzmann (LB) method for the solvent…

Computational Physics · Physics 2008-02-27 Maria Fyta , Jayanta Sircar , Efthimios Kaxiras , Simone Melchionna , Massimo Bernaschi , Sauro Succi

Polymer translocation through a nanopore in a membrane investigated theoretically. Recent experiments on voltage-driven DNA and RNA translocations through a nanopore indicate that the size and geometry of the pore are important factors in…

Statistical Mechanics · Physics 2009-11-07 Elena Slonkina , Anatoly B. Kolomeisky

We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a…

Biological Physics · Physics 2008-02-27 Maria Fyta , Simone Melchionna , Efthimios Kaxiras , Sauro Succi

We develop a theoretical and computational approach to deal with systems that involve a disparate range of spatio-temporal scales, such as those comprised of colloidal particles or polymers moving in a fluidic molecular environment. Our…

Soft Condensed Matter · Physics 2017-10-27 Adwait V. Datar , Maria Fyta , Umberto Marini Bettolo Marconi , Simone Melchionna

We investigate the dynamics of DNA translocation through a nanopore using 2D Langevin dynamics simulations, focusing on the dependence of the translocation dynamics on the details of DNA sequences. The DNA molecules studied in this work are…

Soft Condensed Matter · Physics 2008-02-05 Kaifu Luo , Tapio Ala-Nissila , See-Chen Ying , Aniket Bhattacharya

DNA translocation through nanopores is one of the most promising strategies for the next-generation sequencing technologies. Most part of experimental and numerical works has focused on polymer translocation biased by electrophoresis, where…

Soft Condensed Matter · Physics 2018-02-07 Timothée Menais

We discuss multiscale simulations of long biopolymer translocation through wide nanopores that can accommodate multiple polymer strands. The simulations provide clear evidence of folding quantization, namely, the translocation proceeds…

Biological Physics · Physics 2009-11-13 Simone Melchionna , Massimo Bernaschi , Maria Fyta , Efthimios Kaxiras , Sauro Succi

Inspired by its central role in many biological processes, the transport of biopolymers across nanoscale pores is at the heart of a single-molecule sensing technology aimed at nucleic acid and protein sequencing, as well as biomarker…

Biological Physics · Physics 2025-10-16 Martin Charron , Breeana Elliott , Nada Kerrouri , Liqun He , Vincent Tabard-Cossa

We investigate theoretically the translocation of structured RNA/DNA molecules through narrow pores which allow single but not double strands to pass. The unzipping of basepaired regions within the molecules presents significant kinetic…

Soft Condensed Matter · Physics 2009-11-10 Ulrich Gerland , Ralf Bundschuh , Terence Hwa

We investigate the process of biopolymer translocation through a narrow pore using a multiscale approach which explicitly accounts for the hydrodynamic interactions of the molecule with the surrounding solvent. The simulations confirm that…

Biological Physics · Physics 2009-01-16 Maria Fyta , Simone Melchionna , Sauro Succi , Efthimios Kaxiras

The translocation of a macromolecule through a nanometer-sized pore is an interesting process with important applications in the development of biosensors for single--molecule analysis and in drug delivery and gene therapy. We have carried…

Statistical Mechanics · Physics 2009-09-29 Yves Lansac , Prabal K. Maiti , Matthew A. Glaser

We demonstrate simultaneous measurements of DNA translocation into glass nanopores using ionic current detection and fluorescent imaging. We verify the correspondence between the passage of a single DNA molecule through the nanopore and the…

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 report translocation experiments on double-strand DNA through a silicon oxide nanopore. Samples containing DNA fragments with seven different lengths between 2000 to 96000 basepairs have been electrophoretically driven through a 10 nm…

Biomolecules · Quantitative Biology 2015-06-26 Arnold J. Storm , Cornelis Storm , Jianghua Chen , Henny Zandbergen , Jean-Francois Joanny , Cees Dekker

Polymer translocation is a promising strategy for the next-generation DNA sequencing technologies. The use of biological and synthetic nano-pores, however, still suffers from serious drawbacks. In particular, the width of the membrane layer…

Soft Condensed Matter · Physics 2017-11-30 Timothee Menais , Stefano Mossa , Arnaud Buhot

The transport of DNA polymers through nanoscale pores is central to many biological processes, from bacterial gene exchange to viral infection. In single-molecule nanopore sensing, the detection of nucleic acid and protein analytes relies…

We study voltage driven translocation of a single stranded (ss) DNA through a membrane channel. Our model, based on a master equation (ME) approach, investigates the probability density function (pdf) of the translocation times, and shows…

Statistical Mechanics · Physics 2007-05-23 O. Flomenbom , J. Klafter

We consider voltage-driving DNA translocation through a nanopore in the present study. By assuming the DNA is coaxial with the cylindrical nanopore, a hydrodynamic model for determining effective force on a single DNA molecule in a nanopore…

Soft Condensed Matter · Physics 2013-06-19 Wen-Yue Tang , Guo-Hui Hu
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