The biophysical basis of passive membrane permeability is well-understood, but most
methods for predicting membrane permeability in the context of drug design are based on …

The partitioning behavior of small molecules in lipid bilayers is important in a variety of areas
including membrane protein folding and pharmacology. However, the inhomogeneous …

Starting from fertilization, through tissue growth, hormone secretion, synaptic transmission,
and sometimes morbid events of carcinogenesis and viral infections, membrane fusion …

The influence of different drug transport routes in intestinal drug permeability screening
assays was studied. Three experimental models were compared: the small-intestine-like …

Recent advances mean that arrays of nearly uniform cylindrical, conical and pyramidal
shaped pores can be produced in several types of substrates. Surface modification of …

To test the hypothesis that water pores in a lipid membrane mediate the proton transport,
molecular dynamic simulations of a phospholipid membrane, in which the formation of a …

The diffusional water dynamics in the hydration layer of a dipalmitoylphosphatidylcholine
bilayer is studied using molecular dynamics simulations. By mapping the perpendicular …

Molecular dynamics computer simulations of 1-octanol and its mixtures with water have
been performed. The liquid is composed of regions enriched in either hydrocarbons or …

Transient receptor potential vanilloid subtype 1 (TRPV1) is a heat-sensitive ion channel also
involved in pain sensation, and is the receptor for capsaicin, the active ingredient of hot chili …

To reach their biological target, drugs have to cross cell membranes, and understanding
passive membrane permeation is therefore crucial for rational drug design. Molecular …