Papers:
The Dielectric Boundary Force in Ion Channels: The Case of Gramicidin
In an electrostatic problem with different dielectric regions, a charge in one region induces surface charges at all dielectric boundaries, which, in turn, exert an often neglected force on the charge that induced them. This [...]
Brownian Dynamics Simulation of Transport Properties in Potassium Ion Channels
In this work, a Brownian dynamics simulator based on the self-consistent coupling of the Langevin equation with a field solver, is used to model the ionic transport. Within this approach, the molecular structure of both [...]
BioMOCA: A Transport Monte Carlo Approach to Ion Channel Simulation
Ion channels are highly charged proteins found in the cell membrane, which regulate ion transport to the cell. Most channels switch between conducting and non-conducting states and many can selectively transmit or block a particular [...]
Hybrid MD-PNP Simulations of the Alpha-Hemolysin Open Ion Currents
Recent experimental studies have used the alpha hemolysin protein as a model system to decipher ionic signature patterns in the genetic code of nucleic acids. These studies show that single stranded nucleic acids polymers can [...]
Toward an Integrated Computational Environment for Multiscale Computational Design of Nanoscale Ion Channel Semiconductors
This paper describes the design and operation of an integrated multiscale computational environment for design of nanoscale ion channel semiconductors, the Ion Channel Workbench. The present work builds on an earlier multiscale calculation from our [...]
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2004 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: March 7, 2004
Industry sector: Medical & Biotech
Topic: Biomaterials
ISBN: 0-9728422-7-6