Abstract Background Molecular Mechanics (MM) is the method of choice for computational
studies of biomolecular systems owing to its modest computational cost, which makes it …

Nanotechnology is a multidisciplinary field that covers a vast and diverse array of devices
and machines derived from engineering, physics, materials science, chemistry and biology …

The AMBER lipid force field has been updated to create Lipid14, allowing tensionless
simulation of a number of lipid types with the AMBER MD package. The modular nature of …

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 …

Abstract The CHARMM-GUI Membrane Builder (http://www. charmm-gui.
org/input/membrane), an intuitive, straightforward, web-based graphical user interface, was …

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) …

A new force field for the simulation of dipalmitoylphosphatidylcholine (DPPC) in the liquid‐
crystalline, fluid phase at zero surface tension is presented. The structure of the bilayer 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 …

Molecular dynamics simulations of fully hydrated pure bilayers of four widely studied
phospholipids, 1, 2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1, 2-dimyristoyl-sn …