✦ LIBER ✦

Molecular Dynamics Simulations of Polymer Translocations

✍ Scribed by Richard Randel; Hannah C. Loebl; Clarence C. Matthai

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 134 KB
Volume: 13
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.200300019

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

Summary: Molecular dynamics simulation studies of the translocation of charged homopolymers of length, N, driven by an electric potential gradient through a channel have been performed. We find that the translocation time, τ, displays an inverse power dependence on the temperature of the simulation τ ∼ (T − T~0~)^−7/4^, which is in very good agreement with experimental results. In addition, the dependence of τ on the driving field strength and the velocity of translocation on the polymer length N have also been obtained. The results suggest that such minimalist models are useful in modelling biological processes and that the molecular dynamics method is a suitable approach for carrying out these simulations.

Snapshot of the polymer during the simulation.

imageSnapshot of the polymer during the simulation.

📜 SIMILAR VOLUMES

Dissipative Particle Dynamics Simulation

Dissipative Particle Dynamics Simulations of Polymer Brushes: Comparison with Molecular Dynamics Simulations

✍ Sandeep Pal; Christian Seidel 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 150 KB

## Abstract **Summary:** The structure of polymer brushes is investigated by dissipative particle dynamics (DPD) simulations that include explicit solvent particles. With an appropriate choice of the DPD interaction parameters $a\_{ij}$, we obtain good agreement with previous molecular dynamics (MD

Molecular dynamics simulation of semirig

Molecular dynamics simulation of semirigid polymers

✍ Fusco, Roberto ;Longo, Luca ;Caccianotti, Luciano ;Aratari, Carola ;Allegra, Giu 📂 Article 📅 1993 🏛 Wiley (John Wiley & Sons) ⚖ 441 KB

## Abstract The chain rigidity of poly(__p__‐hydroxybenzoate) was estimated through the theoretical evaluation of its persistence length (__L__~p~). A non‐Brownian molecular dynamics (MD) simulation of an isolated chain with 20 monomeric units was performed. The sampled conformational population wa

Molecular dynamics simulations of xDNA

✍ Mathew K. Varghese; Renjith Thomas; N. V. Unnikrishnan; C. Sudarsanakumar 📂 Article 📅 2009 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 394 KB 👁 2 views

Molecular dynamics simulations of carrab

Molecular dynamics simulations of carrabiose

✍ K. Ueda; J. W. Brady 📂 Article 📅 1997 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 616 KB

## Molecular Dynamics Simulations of Carrabiose ,ilcde(wlur mechanics calculatiotr.s have been per/iwmed,/i~r (he disaccharide carrabio.se, one o!' [he repeat t{nil.v{?/ 'fl-carrageenan, as a generai mode/,/i~r the ( 1-4)-linkage in the carragetJnany. .4n adiaha[ic coiltimna[ional energ~tnap ~iw t

Molecular Dynamics Simulation of the For

Molecular Dynamics Simulation of the Formation of Polymer Networks

✍ Wen Yang; Dongshan Wei; Xigao Jin; Qi Liao 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 416 KB

## Abstract The random end linking of different amounts of trifunctional crosslinkers with 3 000 prepolymer linear chains, with length varying from 10 to 30 monomers, to form networks at different system number densities was dynamically simulated by the molecular dynamics method. Investigation of t

Molecular dynamics simulations of biomem

Molecular dynamics simulations of biomembrane models

✍ G. Vergoten 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 119 KB 👁 3 views

A molecular force field dedicated to molecular dynamics simulation of biomembranes was developed. It was parameterized on model compounds related to phospholipids and was able to reproduce at the same time structures, energies, and vibrational spectra. Cross terms in the potential energy function we