Knowledge of the structure and dynamics of membranes has traditionally been fragmentary
at the atomic level. This is due partly to the fluid character of membranes under physiological …

Differential scanning calorimetry and X-ray diffraction play a prominent role in the
characterization of lipid nanoparticle (LNP) dispersions. This review shortly outlines the …

This article describes the software suite GROMACS (Groningen MAchine for Chemical
Simulation) that was developed at the University of Groningen, The Netherlands, in the early …

GROMACS 3.0 is the latest release of a versatile and very well optimized package for
molecular simulation. Much effort has been devoted to achieving extremely high …

An all-atomistic force field (FF) has been developed for fully saturated phospholipids. The
parametrization has been largely based on high-level ab initio calculations in order to keep …

In order to introduce flexibility into the simple point-charge (SPC) water model, the impact of
the intramolecular degrees of freedom on liquid properties was systematically studied in this …

Biological membranes are versatile in composition and host intriguing molecular processes.
In order to be able to study these systems, an accurate model Hamiltonian or force field (FF) …

We have performed long molecular dynamics simulations of water using four popular water
models, namely simple point charge (SPC), extended simple point charge (SPC/E), and the …

To be able to model complex biological membranes in a more realistic manner, the force
field Slipids (Stockholm lipids) has been extended to include parameters for sphingomyelin …

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 …