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PhD student

Stefanie is interested in elucidating the molecular determinants for subtype selectivity of GABA transporters (GATs). GATs are relevant drug targets as they are involved in many neurological diseases such as epilepsy. With the help of homology modeling, molecular docking and molecular dynamics simulations Stefanie tries to shed light on the binding mechanism of different GAT inhibitors with a particular focus on a possible new allosteric binding pocket. Her major focus is to understand the molecular interactions that drive subtype selectivity which will ultimately govern the design of new highly selective GAT inhibitors. Moreover, Stefanie is an associate fellow of the MolTag PhD program. MolTag funded her to conduct a six-month internship at Yale University under the supervision of William L. Jorgensen where she worked on finding better OPLS-AA dihedral parameters for aromatic amines attached to pyrazole.

Publications

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Damgaard M, Haugaard AS, Kickinger S, Al-Khawaja A, Lie MEK, Ecker G et al. Development of Non-GAT1-Selective Inhibitors: Challenges and Achievements. In Ortega A, Schousboe A, editors, Glial Amino Acid Transporters. Springer. 2017. (Advances in Neurobiology).


Activities

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