The Baker group [ Ссылка ] studies the interaction of small molecules with model biological membranes. This simulation shows the interaction of salicylate, a metabolite of aspirin, with a DPPC lipid bilayer. More information is provided in the publication: Song Y, Guallar V, Baker NA. Molecular dynamics simulations of salicylate effects on the micro- and mesoscopic properties of a dipalmitoylphosphatidylcholine bilayer. Biochemistry, 44, 13425-13438, 2005. [ Ссылка ]
