In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …

The lipid composition of cellular membranes and the balance between the different lipid
components can be impacted by aging, certain pathologies, specific diets and other factors …

TRAVIS (“Trajectory Analyzer and Visualizer”) is a program package for post-processing and
analyzing trajectories from molecular dynamics and Monte Carlo simulations, mostly …

CHARMM‐GUI Membrane Builder, http://www. charmm‐gui. org/input/membrane, is a web‐
based user interface designed to interactively build all‐atom protein/membrane or …

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) …

Computer simulations are giving way to more complex and accurate studies of biological
membranes by molecular dynamics (MD) simulations. The analysis of MD trajectories …

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 …

Skin's effectiveness as a barrier to permeation of water and other chemicals rests almost
entirely in the outermost layer of the epidermis, the stratum corneum (SC), which consists of …

The Gram-negative bacterial outer membrane (OM) is a unique bilayer that forms an efficient
permeation barrier to protect the cell from noxious compounds,. The defining characteristic …

Gap junctions establish direct pathways for cells to transfer metabolic and electrical
messages. The local lipid environment is known to affect the structure, stability and …