3 papers
cond-mat.soft2017
A systematic Monte Carlo simulation study of the primitive model electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences
Mónika Valiskó, Tamás Kristóf, Dirk Gillespie +1
The purpose of this study is to provide data for the primitive model of the electrical double layer, where ions are modeled as charged hard spheres, the solvent as an implicit diel…
cond-mat.soft2016
Simulation study of a rectifying bipolar ion channel: Detailed model versus reduced model
Z. Ható, D. Boda, D. Gillespie +3
We study a rectifying mutant of the OmpF porin ion channel using both all-atom and reduced models. The mutant was created by Miedema et al. [Nano Lett., 2007, 7, 2886] on the basis…
cond-mat.soft2005
On the Physics of Size Selectivity
Roland Roth, Dirk Gillespie
We demonstrate that two mechanisms used by biological ion channels to select particles by size are driven by entropy. With uncharged particles in an infinite cylinder, we show that…