activity
20022005
most citedSystematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration and structural properties

206 citations · 206 across the 5 of their papers we have counts for

collaborators

14 papers

cond-mat.soft2005

Lateral-Pressure Profiles in Cholesterol-DPPC Bilayers

Michael Patra

By means of atomistic molecular dynamics simulations, we study cholesterol-DPPC (dipalmitoyl phosphatidylcholine) bilayers of different composition, from pure DPPC bilayers to a 1:…

cond-mat.soft2004

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…

physics.bio-ph2004

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…

cond-mat.soft2003

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This paper has been withdrawn.

physics.chem-ph2002206 cited

Systematic comparison of force fields for microscopic simulations of NaCl in aqueous solutions: Diffusion, free energy of hydration and structural properties

Michael Patra, Mikko Karttunen

In this paper we compare different force fields that are widely used (Gromacs, Charmm-22/x-Plor, Charmm-27, Amber-1999, OPLS-AA) in biophysical simulations containing aqueous NaCl.…

cond-mat.mes-hall2000

Frequency dependence of the photonic noise spectrum in an absorbing or amplifying diffusive medium

E. G. Mishchenko, M. Patra, C. W. J. Beenakker

A theory is presented for the frequency dependence of the power spectrum of photon current fluctuations originating from a disordered medium. Both the cases of an absorbing medium…