Our publications
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MD simulation sampling a combination of a spatial and an alchemical perturbation reaction coordinate improves skin permeability predictions.
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The Skin’s Barrier: A Cryo-EM Based Overview of its Architecture and Stepwise Formation
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Molecular reorganization during formation of the human skin barrier studied in situ
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Predicting drug permeability through skin using molecular dynamics simulation
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Human skin barrier structure and function analyzed by cryo-EM and molecular dynamics simulation
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Human skin barrier formation takes place via a cubic to lamellar lipid phase transition as analyzed by cryo-electron microscopy and EM-simulation
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Structural transitions in ceramide cubic phases during formation of the human skin barrier