@inproceedings{00d348d956d145b38f1443e01c9070fe,
title = "BioMOCA: A transport Monte Carlo approach to ion channel simulation",
abstract = "Ion channels are highly charged proteins that reside in the membrane of all living cells to regulate charge transport to the cell. Most channels have device-like behaviors that are interesting to the electronics community for their possible application in bio-device design. Simulating ion channels over time-scales relevant to conduction present a difficult time and space multi-scale problem that is beyond the scope of the Molecular Dynamics approach. To address this problem we have developed BioMOCA, a 3-D reduced particle ion channel simulator based on the transport Monte Carlo methodology. BioMOCA has been described elsewhere; here we use it to study the link between the electrostatic properties of the protein and selectivity in the gramicidin channel. We also present representative simulations of Na+ transport in gramicidin.",
keywords = "Gramicidin, Ion channels, Monte Carlo simulations, Nanodevices",
author = "\{Van Der Straaten\}, \{T. A.\} and G. Kathawala and U. Ravaioli",
year = "2004",
language = "English (US)",
isbn = "0972842276",
series = "2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004",
pages = "139--142",
editor = "M. Laudon and B. Romanowicz",
booktitle = "2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004",
note = "2004 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2004 ; Conference date: 07-03-2004 Through 11-03-2004",
}