… Whether a similar permeation process also describes the permeation of other small molecules
… which accounts for the observed relatively high permeability rates of smaller molecules. …

… permeation models on the example of the permeation of water and other small molecules
in … by the observation that the permeation of very small molecules was not well described by …

… permeation of a small molecule that does … permeation dynamics for molecules such as
methanol, which exhibit subdiffusive behavior on the characteristic timescales of their permeation. …

… , especially when studying solute permeation, are therefore … simulations to study small
molecule permeation through a DPPC … of the passive permeation process at a molecular level. …

… the atomistic and molecular properties of membrane structure, dynamics and permeation.
Our review focuses on simulations analysing permeation of small molecules through lipid …

… determination of permeability coefficients of small molecules in lipid vesicles and living cells.
… The protocol for measuring small-molecule permeation in vesicles is also readily combined …

… an atomistic description of the permeation process and can help in … Molecular dynamics
(MD) methods allow the description of the dynamics behavior of the permeated molecules …

… Both local packing and rigidity of the matrix affect the permeation of small molecules in …
Later we focus on the effects of these features on the permeation of the penetrant molecules…

… (for example, the solutes in membrane permeation studies) are modeled atomistically, while
… None of these techniques has been used to simulate transmembrane permeation processes…

… drugs are small molecules acting on … of molecules—namely, small molecules, peptides,
and proteins—are thought to cross the mammalian plasma membrane, how such permeation …