Scientists have developed a computational method based on large-scale molecular dynamics simulations to predict the cell-membrane permeability of cyclic peptides using a supercomputer. Their protocol ...

Cyclic peptides often exhibit low membrane permeability which can be significantly improved via amide-to-ester substitutions—as demonstrated by researchers from Tokyo Institute of Technology (Tokyo ...

Passive diffusion plays an essential role in oral absorption of drugs through the gastrointestinal tract, penetration across the blood-brain barrier to reach Central Nervous System disease targets, ...

Researchers at the Tokyo Institute of Technology say they have developed a computational method based on large-scale molecular dynamics simulations to predict the cell-membrane permeability of cyclic ...