… molecular simulations are used to study the interaction of … permeation coefficients of small
molecules is an active area of research and aids our understanding of physiological processes …

… evaluation of permeability of lipid membranes from molecular dynamics (MD) simulation
primarily using … The permeability of membranes was being investigated before it was known that …

… immediate membrane vicinity of planar membranes, we analyzed the … bilayer may oppose
solute movement across the membrane. … by molecular dynamics simulations of cholesterol rich …

… skin lipid matrix model is used in this study. The CG … Small molecules such as LEM and
ISP crossed the lipid layer significantly (as can be seen from the percentage molecule permeate …

… inside the lipid layer. The apical model lipid membrane and protocols used in this study can
… (CG) model of a multicomponent apical lipid membrane was built using molecular dynamics …

… , alteration of SC protein conformation and enhancement of the drug solubility in the SC
lipids. In this study, we performed molecular dynamics (MD) simulations of SC lipid bilayers …

… Therefore, we calculated the permeability and conductance of lipid bilayer patches containing
hydroperoxide lipid derivatives using free energy calculations in MD. The next step that …

… that small molecules can reduce the membrane thickness. The … not enough to enhance solute
permeation by reducing the span … that small solutes may move through the membrane by “…

… molecular dynamics simulations, we performed a systematic analysis of the permeability of
a variety of small molecules through … as the plasma membranes of examined bacteria and …

… permeation kinetics may be related to the dialysis membrane … On the other hand, dynamic
molecular simulation studies … the incorporation of oil in a lipid formulation creates an imperfect …