Plasma membranes are complex entities common to all living cells. The basic principle of
their organization appears very simple, but they are actually of high complexity and …

In recent years, a massive increase has been observed in the number of published articles
describing accurate and reliable molecular dynamics simulations of lipid bilayers. This is …

Previous studies have established that the folding, structure and function of membrane
proteins are influenced by their lipid environments,,,,,, and that lipids can bind to specific …

A significant modification to the additive all-atom CHARMM lipid force field (FF) is developed
and applied to phospholipid bilayers with both choline and ethanolamine containing head …

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 …

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) …

The development of the CHARMM additive all-atom lipid force field (FF) is traced from the
early 1990s to the most recent version (C36) published in 2010. Though simulations with …

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 …

For molecular dynamics simulations of biological membrane systems to live up to the
potential of providing accurate atomic level detail into membrane properties and functions, it …

Molecular dynamics simulations provide a route to studying the dynamics of lipid bilayers at
atomistic or near atomistic resolution. Over the past 10 years or so, molecular dynamics …