Currently on maternity leave.
Senior scientist
Melanie Grandits is senior scientist at the Division of Pharmaceutical Chemistry at the University of Vienna. She is a biotechnologist by training and did her PhD studies in Computational Biology in the field of molecular dynamics simulations. She started her Postdoctoral Research within the K4DD project, where she investigated the kinetics of compounds with the human P-glycoprotein. At the moment she is involved in the eTransafe project, building classification models of transport proteins using machine learning approaches.
Publications
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Jain S, Grandits M, Richter L, Ecker GF. Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP. Journal of Computer-Aided Molecular Design. 2017 Jun;31(6):507-521. doi: 10.1007/s10822-017-0021-x