{"data":{"id":4,"name":"COSMOmic\/COSMOperm","abbreviation":"COSMOperm","description":"<p style=\"text-align: justify;\">COSMOperm is an approach for predicting passive membrane permeability of neutral compounds, anions, and cations. It combines COSMO-RS\u2013derived free-energy profiles across a phospholipid bilayer with diffusion coefficients from COSMOmic, applying the inhomogeneous solubility\u2013diffusion model to integrate local resistances. Free-energy profiles describe partitioning into headgroup and tail regions, while D(z) captures layer-dependent mobility. pH-dependent permeation is accounted for through parallel resistors and a Born-energy correction that models ion penetration into the hydrophobic core. COSMOperm accurately reproduces experimental black lipid membrane data and enables high-throughput, physically grounded permeability predictions across diverse membrane compositions.<\/p><h3 style=\"text-align: justify;\">Key features of COSMO<em>mic<\/em><\/h3><ul><li><p>Partition coefficients in micellar systems<\/p><\/li><li><p>Solute distribution profiles along membrane normal<\/p><\/li><li><p>Free energy profile through the membrane or the micelle<\/p><\/li><li><p>Neutral and ionic solutes treated on equal footing<\/p><\/li><li><p>Spherical, cylindrical and lamellar micelles<\/p><\/li><\/ul><h3 style=\"text-align: justify;\">Key features of COSMO<em>perm<\/em><\/h3><ul><li><p>Local diffusion coefficients<\/p><\/li><li><p>Resistance profiles<\/p><\/li><li><p>Intrinsic passive membrane permeabilities<\/p><\/li><li><p>pH dependence of permeation<\/p><\/li><\/ul>","categories":[{"id":8,"title":"Q-based","breadcrumb":[{"id":5,"title":"Computed"},{"id":8,"title":"Q-based"}]}],"url":"https:\/\/molmedb.upol.cz\/api\/v1\/methods\/4","landing_page":"https:\/\/molmedb.upol.cz\/method\/4","created_at":"2018-06-16T13:10:02.000000Z","updated_at":"2026-06-29T13:34:07.000000Z"}}