Title :
Particle-Based Simulation of Conductance of Solid-State Nanopores and Ion Channels
Author :
Berti, C. ; Furini, S. ; Cavalcanti, S. ; Sangiorgi, E. ; Fiegna, C.
Author_Institution :
ARCES, Univ. of Bologna, Cesena, Italy
Abstract :
A three-dimensional numerical simulation technique based on Brownian Dynamics is presented for simulating ion currents flowing through ion channels and solid-state nanopores under various conditions. This implementation allows to perform simulations on the mu-seconds time scale in order to obtain information on the conductance of the simulated channels. Results regarding ion motion in bulk solution and concerning electrostatic calculation along channel axis for a catenary test pore are presented here. Furthermore, the calculated potential energy profiles and conductance of an open-state configuration of KcsA K+ channel of Streptomyces Lividans bacterium are presented.
Keywords :
Brownian motion; bioelectric phenomena; biomembrane transport; electrostatics; ion mobility; microorganisms; numerical analysis; potassium; Brownian dynamics; KcsA potassium ion channel; Streptomyces Lividans bacterium; catenary test pore; electrostatic calculation; ion currents; ion motion; particle-based simulation; potential energy profile; solid-state nanopores; three-dimensional numerical simulation technique; Biomembranes; Computational modeling; Electrostatics; Nanoporous materials; Numerical simulation; Poisson equations; Proteins; Solid modeling; Solid state circuits; Testing;
Conference_Titel :
Simulation of Semiconductor Processes and Devices, 2009. SISPAD '09. International Conference on
Conference_Location :
San Diego, CA
Print_ISBN :
978-1-4244-3974-8
Electronic_ISBN :
1946-1569
DOI :
10.1109/SISPAD.2009.5290189
