Research
At the Volkamer Lab, we develop novel methods at the interface between structural bioinformatics and cheminformatics, mostly applied in the context of computer-aided drug design. Here, the individual projects are grouped into the following research lines. For more information click on the individual topics.
Research lines
Structure-based (binding site centric) approaches
Machine learning based methods
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Data augmentation and deep learning for physico-chemical property prediction
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Molecular Property Representation and Optimization using Transformers
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more deep learning based work at KinFragML
OpenKinome
- KinoML
- MIAME
- More kinase related work at KiSSim and KinFragLib