The Gibbs free energy of dipole or iron permeation of lipid bilayers is calculated as the sum
of all electrostatic, solvophobic and specific interactions. Partitioning models are consistent …

Revised Manuscript Received August 31, 1993® abstract: To elucidate the mechanism of
solute diffusion through lipid bilayer membranes, nearly 4 ns of molecular dynamics …

Two mechanisms have been proposed to account for solute permeation of lipid bilayers.
Partitioning into the hydrophobic phase of the bilayer, followed by diffusion, is accepted by …

Predicting the rate of nonfacilitated permeation of solutes across lipid bilayers is important to
drug design, toxicology, and signaling. These rates can be estimated using molecular …

In this paper, an extensive analysis of free volume related properties of a lipid membrane is
given. Using percolation theory, and comparing the free volume properties to those of a soft …

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

Stratum Corneum (SC), the outermost layer of skin, is mainly responsible for skin's barrier
function. The complex lipid matrix of SC determines these barrier properties. In this study …

In this paper, we investigate the effects of the hydrocarbon chain length of lipid molecules on
the permeation process of small molecules through lipid bilayers. We perform molecular …

Molecular dynamics simulations have been carried out in order to examine the mechanism
of diffusion of small penetrants in amorphous polymermembranes. Diffusion processes of …

Spontaneous solute and solvent permeation through membranes is of vital importance to
human life, be it gas exchange in red blood cells, metabolite excretion, drug/toxin uptake, or …