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SUMMARY:Computational Models of Complex Membranes For Drug Delivery - Dr C
 hristian Jorgensen\, University of Portsmouth
DTSTART:20240508T133000Z
DTEND:20240508T143000Z
UID:TALK211630@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:The use of computational models powered by Molecular Dynamics 
 (MD) simulations has allowed for the construction of atomic-detail models 
 of biophysical systems of interest. Here we demonstrate the use of MD simu
 lations to construct a model of the blood-brain barrier endothelial cell m
 embrane\, and the human Stratum Corneum skin membrane. We show permeabilit
 y simulations across these systems and elucidate the thermodynamics of tra
 nsport for libraries of compounds. 
LOCATION:Unilever Lecture Theatre\, Yusuf Hamied Department of Chemistry
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