Our publications

  • MD simulation sampling a combination of a spatial and an alchemical perturbation reaction coordinate improves skin permeability predictions.

  • The Skin’s Barrier: A Cryo-EM Based Overview of its Architecture and Stepwise Formation

  • Molecular reorganization during formation of the human skin barrier studied in situ

  • Predicting drug permeability through skin using molecular dynamics simulation

  • Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation

  • Human skin barrier formation takes place via a cubic to lamellar lipid phase transition as analyzed by cryo-electron microscopy and EM-simulation

  • Structural transitions in ceramide cubic phases during formation of the human skin barrier