78 citations · 144 across the 3 of their papers we have counts for
3 papers
cond-mat.soft2016★ 26 cited
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…
cs.CE2015★ 78 cited
ms2: A molecular simulation tool for thermodynamic properties, new version release
Colin W. Glass, Steffen Reiser, Gábor Rutkai +9
A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein et al., Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 of ms2 features a hybrid para…
physics.comp-ph2015★ 40 cited
Long range correction for multi-site Lennard-Jones models and planar interfaces
Stephan Werth, Gábor Rutkai, Martin Horsch +2
A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys.…