Bayer is a global enterprise with core competencies in the Life Science fields of health care and agriculture. Its products and services are designed to benefit people and improve their quality of life. At Bayer you have the opportunity to be part of a culture where we value the passion of our employees to innovate and give them the power to change.

Scientist Computational Molecular Design (m/f/d)

Your tasks and responsibilities

The Computational Molecular Design Group within the recently established Digital Technologies department is seeking a passionate and creative scientist (m/f/d) (computational chemist, cheminformatician, computational biologist) to join our team in Berlin and help discover the next wave of oncology and gynecological therapies. In this role role you will:


  • Advance drug discovery projects by means of state-of-the-art computational molecular design and machine learning techniques
  • Create computer-aided designs of novel ligands including new modalities, biologics and chemical tools
  • Be involved in development, implementation and application of property prediction methods and AI approaches
  • Be part of interdisciplinary research teams and closely interact with colleagues from neighboring areas such as medicinal chemistry, structural biology, screening, pharmacology, pharmacokinetics and digital technologies
  • Be able to engage in collaborations with renowned research institutions worldwide
  • Strengthen external visibility and scientific excellence through publishing and engaging with the scientific community


Who you are

  • PhD in (bio)-chemistry, pharmaceutical sciences, bioinformatics or related disciplines
  • First experience in computational drug design, preferably in an industrial setting
  • Profound experience in a broad spectrum of computational molecular design techniques applied in drug discovery such as structure- and ligand-based compound design, protein modeling, molecular dynamics incl. advanced analyses, free energy calculations, machine learning
  • Good knowledge of organic chemistry and chemical reactivity concepts and a working knowledge of biology, pharmacology and DMPK
  • Knowledge of scripting and programming languages such as Python would be beneficial
  • Track record of publications and presentations at scientific meetings, demonstrating the application of computational molecular design to drug discovery
  • Excellent presentation skills along with the ability to work in a dynamic, interdisciplinary team environment with strong focus and ambition
  • Fluent in English, both written and spoken


Your application

Are you looking for a new challenge where you can show your passion for innovation? Are you interested in working as part of a global team to improve people’s lives? Then send us your online application including cover letter, CV and references.




Bayer welcomes applications from all individuals, regardless of race, national origin, gender, age, physical characteristics, social origin, disability, union membership, religion, family status, pregnancy, sexual orientation, gender identity, gender expression or any unlawful criterion under applicable law. We are committed to treating all applicants fairly and avoiding discrimination. 

Country: Germany
Location: Berlin
Reference Code: 42687
Functional Area: [sap_fa_28]
Entry Level: 5