TCB Publications - Abstract

Maria E. Gracheva, Anlin Xiong, Aleksei Aksimentiev, Klaus Schulten, Gregory Timp, and Jean-Pierre Leburton. Simulation of the electric response of DNA translocation through a semiconductor nanopore-capacitor. Nanotechnology, 17:622-633, 2006.

GRAC2006 A multi-scale/multi-material computational model for simulation of the electric signal detected on the electrodes of a Metal-Oxide-Semiconductor (MOS) capacitor forming a nanoscale artificial membrane, and containing a nanopore with translocating DNA is presented. The multi-scale approach is based on the incorporation of a molecular dynamics description of a translocating DNA molecule in the nanopore within a three-dimensional Poisson equation self-consistent scheme involving electrolytic and semiconductor charges for the electrostatic potential calculation. The voltage signal obtained from the simulation supports the possibility for sequencing of DNA with a nanopore device. The electric signal predicted on the capacitor electrodes compliments ongoing experiments exploring the use of nanopores in a MOS capacitor membrane for DNA sequencing.

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