"Neue Methoden in den Lebenswissenschaften; Biotechnologie; Wirkstoffforschung"

-Molecular modelling for computational drug design incl. structure- and ligand-based compound design (e.g. docking, pharmacophore models, virtual screening, homology modelling) -Cheminformatics (e.g. design, preparation, and administration of virtual screening libraries incl. conformer generation, similarity search, diversity analysis; fingerprints; molecular graphs; QSAR/QSPR studies incl. prediction of properties relevant for pharmacokinetics)-Machine learning (e.g. SVMs, RFs, artificial NNs, deep learning; special focus on deep artificial NN architecture for binding affinity prediction) -Molecular dynamics simulations-Data mining, data visualization and statistics-Modelling of solvation effects (e.g. 3D RISM, continuum electrostatics)-Development, implementation, benchmark and maintenance of automated workflows, algorithms and programs for the above-mentioned tasks using state-of-the-art packages/modules and scripting/programming languages-Programming in Python, Java, R, Fortran, Mathematica, Bash

- Bioinformatic analysis of transcriptomics data; advanced pathway analysis- Homolgy modelling of aquaporines; structural biology and modelling of ion channels

- Chemical analytics: LC/GC-MS, NMR spectroscopy- Maintanance of databases

- Chemical analytics: chiral HPLC und GC, GC-MS, IR- maintenance of equipment