5 papers
Under the influence of alcohol: The effect of ethanol and methanol on lipid bilayers
Michael Patra, Emppu Salonen, Emma Terama +4
Extensive microscopic molecular dynamics simulations have been performed to study the effects of short-chain alcohols, methanol and ethanol, on two different fully hydrated lipid b…
Structural Effects of Small Molecules on Phospholipid Bilayers Investigated by Molecular Simulations
Bryan W. Lee, Roland Faller, Amadeu K. Sum +3
We summarize and compare recent Molecular Dynamics simulations on the interactions of dipalmitoylphosphatidylcholine (DPPC) bilayers in the liquid crystalline phase with a number o…
Lipid bilayers driven to a wrong lane in molecular dynamics simulations by truncation of long-range electrostatic interactions
Michael Patra, Mikko Karttunen, Marja T. Hyvonen +2
This paper has been withdrawn.
On coarse-graining by the Inverse Monte Carlo method: Dissipative Particle Dynamics simulations made to a precise tool in soft matter modeling
A. P. Lyubartsev, M. Karttunen, I. Vattulainen +1
We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtaine…
Hidden Errors in Simulations and the Quality of Pseudorandom Numbers
I. Vattulainen, K. Kankaala, J. Saarinen +1
We have carried out extensive statistical, bit level and visual tests of several random number generators used in the applications of physics. Two of the generators tested were rec…