This Review illustrates the evaluation of permeability of lipid membranes from molecular
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …

Molecular permeation through lipid membranes is a fundamental biological process that is
important for small neutral molecules and drug molecules. Precise characterization of free …

Human cornea is covered by an aqueous tear film, and the outermost layer of the tear film is
coated by lipids. This so-called tear film lipid layer (TFLL) reduces surface tension of the tear …

Density functional theory (DFT) calculations and molecular dynamic (MD) simulations were
accomplished to comprehend the nature of the interactions between 5-fluorouracil (FU)/6 …

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 …

We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …

Cell membranes protect and compartmentalise cells and their organelles. The semi‐
permeable nature of these membranes controls the exchange of solutes across their …

We developed a global X-ray data analysis method to determine the intrinsic curvatures of
lipids hosted in inverted hexagonal phases. In particular, we combined compositional …

Ceramides based on phytosphingosine, sphingosine and dihydrosphingosine are essential
constituents of the skin lipid barrier that protects the body from excessive water loss. The …

The in vitro skin penetration of pharmaceutical or cosmetic ingredients is usually assessed
in human or animal tissue. However, there are ethical and practical difficulties associated …