Predoctoral Position MCM Group HITS-01-2018

Opening for a Ph.D. student in computer-aided molecular design in the Molecular and Cellular Modelling group at the Heidelberg Institute for Theoretical Studies (HITS gGmbH) in Heidelberg, Germany


We are seeking a highly motivated scientist to join the Molecular and Cellular Modelling group at HITS as a Ph.D. student in EuroNeurotrophin (, a European training network for the discovery of neurotrophin small molecule mimetics as potential therapeutic agents for neurodegeneration and neuroinflammation. The student will work on the design and optimization of small molecule mimetics and potentiators of neurotrophins using a combination of ligand-based and receptor-based drug design approaches. The project will include the modelling of proteins and protein-protein complexes, the analysis of protein binding properties, and the computational docking and design of compounds.


The Heidelberg Institute for Theoretical Studies (HITS) was established in 2010 by the physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural sciences, mathematics and computer science, with a focus on the processing, structuring, and analyzing of large amounts of complex data and the development of computational methods and software. The research fields range from molecular biology to astrophysics.


The Molecular and Cellular Modeling group is an interdisciplinary research group that works on the development and application of computer-aided methods to model and simulate biomolecular interactions. The focus is on proteins and the computational approaches are mostly based on the three-dimensional structures of macromolecules. Techniques cover a wide spectrum from interactive, web-based visualization tools to molecular and Brownian dynamics simulations (see ).


Candidates should possess a Master’s Degree or equivalent qualification in bioinformatics, chemoinformatics, biochemistry, medicinal chemistry, pharmacy, molecular biotechnology, or a related discipline. Candidates should have a strong theoretical background, experience in biomolecular modelling and simulation, programming skills, and a genuine interest in interdisciplinary research. They must also satisfy the H2020 MSCA mobility and eligibility criteria. Further details on the requirements and the project are available at:


To apply, please fill the application form and submit this with your application materials at the following link:

and by email to info [ aT ]


The application deadline is 12.04.2018.

Please note that applications not submitted via the online system cannot be considered.

Informal enquiries may be addressed to Prof. Rebecca Wade (rebecca.wade(at)