{"data":{"id":1,"name":"COSMOmic ","abbreviation":"COSMOmic","description":"<p>COSMOmic is a computational method for predicting membrane\u2013water partition coefficients and solute distributions within lipid bilayers. It extends the COSMO-RS solvation model by treating membranes as anisotropic layered liquids, parameterized with atomic distributions from molecular dynamics simulations. Solute free energies are computed by sampling positions and orientations across the bilayer, yielding depth-dependent profiles and membrane\u2013water partition coefficients. Unlike empirical octanol\u2013water correlations, COSMOmic captures specific interactions of solutes with different membrane regions, providing insights into penetration barriers, preferred localization, and permeability. COSMOmic is  used in drug design and environmental science to evaluate partitioning, bioavailability, and membrane-mediated effects.<\/p><h3>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><p>Version: COSMOmic15<\/p>","categories":[{"id":8,"title":"Q-based","breadcrumb":[{"id":5,"title":"Computed"},{"id":8,"title":"Q-based"}]}],"url":"https:\/\/molmedb.upol.cz\/api\/v1\/methods\/1","landing_page":"https:\/\/molmedb.upol.cz\/method\/1","created_at":"2017-03-27T22:00:00.000000Z","updated_at":"2026-06-29T13:28:14.000000Z"}}