Helmholtz Zentrum München is a research center with the mission to discover personalized medical solutions for the prevention and therapy of environmentally triggered diseases and promote a healthier society in a rapidly changing world.

At our institute you will find a scientifically stimulating inter­national environment. Together with renowned scientists and suppor­ted by an excellent infra­structure you will have the opportunity to make an important contri­bution for a healthier society.

Primary research activity of the Structure-based Drug Discovery Group is to identify new potential drugs with focus on protein-protein inter­action and new tar­gets scouting. Protein-protein inter­actome usually require compounds of unique chemical proper­ties seldom found in con­temporary screening libraries. We are developing AI tools to identify new chemical sub­stances and test them in biological systems. With the help of AI, fragment-based screening, NMR-based SAR evaluation, and X-ray crystallo­graphy, we design molecules that can serve as a chemical probe to vali­date novel therapeutic proof of concept and can be optimized into future drug candidates.

We are working within the Institute of Structural Biology at the Helmholtz Zentrum München. It focuses on integra­tive structural biology and struc­ture-based drug discovery, combining structural biology, NMR (nuclear magnetic resonance), crystallography, cryo-EM, computa­tional approaches, and chemical synthesis to develop and apply novel approaches beyond current state-of-the-art for the discovery of new tar­gets and therapeutic small molecules. Therapeutic targets address a range of topics, ranging from diabetes, cancer, lung disease to targets in para­sitic diseases and anti­biotic resistance.

Postdoc / staff scientist (f/m/x) in computer-aided, structure-based drug discovery

Full time, close to full time

Neuherberg near Munich


Your responsibilities

We are looking for very motivated candidates to work in a trans­disciplinary team. Your essential duties will be:

  • Creating new, machine learning models to inter­pret and analyze multidimensional structural and chemical data
  • Cooperating tightly with medicinal chemists and struc­tural biologists that pro­vide their experience and validate compu­tational predictions experimentally
  • Solving complex protein-drug inter­action problems together with the quantum chemists and mole­cular dynamics specialists
  • Writing of scientific papers and patents
  • Training young researchers in AI / ML techniques

Your qualifications

  • Essential skills:
    • Demonstrated experience in developing soft­ware packages (in python, con­firmed by online repositories) 
    • Good understanding of modern deep learning tech­niques including con­volutional trans­former, and other models
    • Data science skills: data curation / cleaning, ensuring indepen­dence of cross-validation / test datasets, redundancy reduction, dealing with dataset imbalance, redun­dancy reduction and other preprocessing techniques
    • Experience with HPC: parallelization of jobs, usage of GPUs
    • Knowledge of containers (Singularity)
    • Excellent team spirit, presen­tation, and communi­cation skills
  • Preferred skills:
    • Doctoral or Master degree related to the assign­ment (Computation, Chemistry, Physics, Mathe­matics, Information technology)
    • Knowledge of bio­informatics, structural biology, mole­cular dynamics, computational chemistry
    • Experience in C++ / C# or other advanced pro­gramming languages
    • Graphical inter­faces and 3D graphics (Unity / Unreal etc.)

What we offer you

  • Continuous education and training
  • Work-life balance
  • Flexible working hours and working-time models
  • 30 days annual leave
  • On-site health management service
  • Home office options
  • On-site nursery
  • Elder care
  • Company pension scheme
  • Discounted public transport ticket

Munich, with its numerous lakes and its vicinity to the Alps, is con­sidered to be one of the cities with the best quality of life world­wide. With its first-class uni­versities and world-leading research institutions it offers an intellectu­ally stimu­lating environment.

Remuneration and social benefits are based on the collec­tive wage agreement for public sector employees at federal level (TV EntgO Bund). The position is (initially) limited until February 28, 2023, but under certain circum­stances an extension can be arranged.

To promote diversity, we welcome appli­cations from talented people regard­less of cultural back­ground, nationality, ethnicity, gender, and sexual identity, physical abilities, religion, and age. Qualified appli­cants with physical dis­abilities will be given preference.

Applicant guidance on the Corona pandemic

If you have further questions, simply contact Dr. Grzegorz Popowicz, +49 (0) 89 3187-3727, who will be happy to be of assistance.

Helmholtz Zentrum München
Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH)
Institute of Structural Biology
Ingolstädter Landstraße 1
85764 Oberschleißheim

Award for excellent gender equality policy for women and men. Helmholtz Zentrum München is parti­cularly committed to promoting pro­fessional equality between women and men. It there­fore aims to increase the proportion of the under­represented sex in the res­pective field.

The Helmholtz Zentrum München is part of the Helm­holtz Association, Germany’ lar­gest scientific organi­zation. Altogether 42,000 people current­ly work in its 19 scientific-tech­nical and biological-medical research centers. The Association’s annual budget amounts to around 5 billion euros.