Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is
inextricable from their surfaces. The functionalization of lead halide perovskite NCs,,,–poses …

The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …

Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

Cholesterol is a central building block in biomembranes, where it induces orientational
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …

Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …

Lipids rafts are considered to be functional nanoscale membrane domains enriched in
cholesterol and sphingolipids, characteristic in particular of the external leaflet of cell …

There is evidence that lipids can be allosteric regulators of membrane protein structure and
activation. However, there are no data showing how exactly the regulation emerges from …

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 …