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.

The Structure-based Drug Discovery group of the Institute of Structural Biology at the Helmholtz Zentrum München is a platform for structure- and fragment-based drug discovery, which integrates structural biology, NMR methods, 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.

We seek candidates with interest in translation of structural biology into drug discovery using machine learning techniques. Experience in other structural biology techniques will also be appreciated.

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

Full time

Neuherberg near Munich


Your responsibilities

  • We seek candidates with interest in translation of structural biology into drug discovery using machine learning techniques.
  • The position allows unique opportunity to merge state-of-the-art structural biology and small molecule design by novel tools using Artificial Intelligence.
  • Experimental feedback (structural biology, NMR, fragment screening, medicinal chemistry) will be used along biochemical methods to validate our computational predictions.
  • Ideally, we are looking for a candidate with proven experience in machine learning models with multidimensional data, with good understanding of computational chemistry.
  • Experience in other structural biology or organic chemistry techniques will also be appreciated.

Your qualifications

  • Documented experience of programming in Python
  • High performance computing skills including knowledge of task parallelisation (utilisation of multiple threads)
  • Knowledge of code optimisation techniques and experience with refactoring
  • Experience in machine learning model development with Python
  • Experience in training deep learning models with Keras / TensorFlow

Desired qualifications

  • Knowledge of highly efficient low-level programming languages (eg. C)
  • Knowledge of object-oriented programming languages (eg. C++ or Java)
  • Experience in GPU programming (CUDA)
  • Understanding of linear algebra and 3D geometry
  • Experience in developing deep learning models from scratch including graph convolutional neural networks and generative models
  • Experience in computational chemistry / biophysics (quantum molecular mechanics / molecular dynamics methods)
  • Experience in protein bioinformatics and computational structural biology (working knowledge of Biopython)
  • Experience in GUI development, particularly for 3D molecular visualisation

What we offer you

  • continuous education and training
  • work-life balance
  • flexible working hours and
    time off in lieu
  • 30 days annual leave
  • on-site health management service
  • mobile work
  • on-site nursery
  • elder care
  • company pension scheme
  • discounted public transport ticket
  • Innovative research focused on treatment of important human diseases
  • Working in a vibrating and scientifically stimulating environment with excellent facilities for structural biology (crystallography, NMR, protein biochemistry, cell biology, imaging, animal models, and more)
  • Excellent academic and industrial networking opportunities
  • Support in developing management skills

Please apply with a Cover Letter, CV, and all relevant certificates!

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 research institutes 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 limited to three years, 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. Please consider the applicant guidance on the Corona pandemic.

If you have further questions, simply contact Dr. Grzegorz Popowicz on 089 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 Neuherberg near Munich

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's 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.