Simulating complex ion channel kinetics with IonChannelLab

Fractal methods to analyze ion channel kinetics.

We describe the traditional nonfractal and the new fractal methods used to analyze the currents through ion channels in the cell membrane. We discuss the hidden assumptions used in these methods and how those assumptions lead to different interpretations of the same experimental data. The nonfractal methods assumed that channel proteins have a small number of discrete states separated by fixed ...

Optimal Estimation of Ion-Channel Kinetics from Macroscopic Currents

Markov modeling provides an effective approach for modeling ion channel kinetics. There are several search algorithms for global fitting of macroscopic or single-channel currents across different experimental conditions. Here we present a particle swarm optimization(PSO)-based approach which, when used in combination with golden section search (GSS), can fit macroscopic voltage responses with a...

Markov Modeling of Conformational Kinetics of Cardiac Ion Channel Proteins

A parallel adaptive method for simulating shock-induced combustion with detailed chemical kinetics in complex domains

An adaptive finite volume approach is presented to accurately simulate shockinduced combustion phenomena in gases, particularly detonation waves. The method uses a Cartesian mesh that is dynamically adapted to embedded geometries and flow features by using regular refinement patches. The discretisation is a reliable linearised Riemann solver for thermally perfect gas mixtures; detailed kinetics...

Simulating cluster-ion impacts

Although cluster-ion interactions may superficially appear to resemble those in nuclear physics, there are important differences. First, at the energies of interest the deBroglie wavelength of an atom in the cluster is so short compared to atomic dimensions that the atom's trajectory in a solid is classical. Thus, one may use the Born-Oppenheimer approximation in which the particles all obey Ne...