Timo Krotzky

In 2017, I have moved back to Germany to work with B. Braun Avitum as a product / development manager for clinical information systems.

In 2015, I have moved from the University of Marburg to the Cambridge Crystallographic Data Centre (CCDC) in order to work as a Research and Applications Scientist focusing on software development in Life Sciences.

In my scientific work I focused on the comparison of protein binding sites, a major topic in early-stage drug discovery. Here, searching for similar binding sites can help to predict side effects, annotate a function to hitherto orphan proteins and also provide valuable ideas for drug repurposing.
The comparison methods can be used through a user-friendly Python interface. To make the comparisons as fast as possible, the underlying comparison routines are being implemented in C++.

Earlier, I have also worked on the integration of geometrical preferences into DrugScore Xtended (DSX), a widely used (re)scoring function for docking solutions. The original implementation of DSX has therefore been enhanced by an additional evaluation of hydrogen-bond patterns formed between the receptor pocket and the ligand molecule.

In the past, I was working in the area of web and database development. The article about Web Performance Optimization (WPO) has been selected for a presentation during the Developer Week (DWX) 2013 held in Nuremberg.

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Last update: 2020-10-31