Computational modeling of realistic cell membranes
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
[HTML][HTML] Membrane thickness, lipid phase and sterol type are determining factors in the permeability of membranes to small solutes
J Frallicciardi, J Melcr, P Siginou, SJ Marrink… - Nature …, 2022 - nature.com
Cell membranes provide a selective semi-permeable barrier to the passive transport of
molecules. This property differs greatly between organisms. While the cytoplasmic …
molecules. This property differs greatly between organisms. While the cytoplasmic …
[HTML][HTML] Alternatives to biological skin in permeation studies: Current trends and possibilities
The transdermal route of drugs has received increased attention in recent years due to
numerous advantages over the oral and injectable routes, such as avoidance of the hepatic …
numerous advantages over the oral and injectable routes, such as avoidance of the hepatic …
Molecular dynamics simulations of membrane permeability
This Review illustrates the evaluation of permeability of lipid membranes from molecular
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …
dynamics (MD) simulation primarily using water and oxygen as examples. Membrane …
Predicting a Drug's Membrane Permeability: A Computational Model Validated With in Vitro Permeability Assay Data
BJ Bennion, NA Be, MW McNerney, V Lao… - The journal of …, 2017 - ACS Publications
Membrane permeability is a key property to consider during the drug design process, and
particularly vital when dealing with small molecules that have intracellular targets as their …
particularly vital when dealing with small molecules that have intracellular targets as their …
Current status and future potential of transdermal drug delivery
The past twenty five years have seen an explosion in the creation and discovery of new
medicinal agents. Related innovations in drug delivery systems have not only enabled the …
medicinal agents. Related innovations in drug delivery systems have not only enabled the …
[图书][B] Handbook of membrane separations: chemical, pharmaceutical, food, and biotechnological applications
The Handbook of Membrane Separations: Chemical, Pharmaceutical, and Biotechnological
Applications provides detailed information on membrane separation technologies as they …
Applications provides detailed information on membrane separation technologies as they …
[PDF][PDF] A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations
TS Carpenter, DA Kirshner, EY Lau, SE Wong… - Biophysical journal, 2014 - cell.com
The blood-brain barrier (BBB) is formed by specialized tight junctions between endothelial
cells that line brain capillaries to create a highly selective barrier between the brain and the …
cells that line brain capillaries to create a highly selective barrier between the brain and the …
[HTML][HTML] Effect of size and surface charge of gold nanoparticles on their skin permeability: a molecular dynamics study
Molecular level understanding of permeation of nanoparticles through human skin
establishes the basis for development of novel transdermal drug delivery systems and …
establishes the basis for development of novel transdermal drug delivery systems and …