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- Advance drug discovery projects using cutting-edge computational chemistry, computer-aided drug design, and machine learning techniques (including new modalities, biologics, and chemical tools)
- Develop, implement, and apply property prediction methods and AI approaches based on chemical and biological data (in vitro and in vivo)
- Apply your expertise in physics-based calculations, including quantum mechanics and molecular dynamics simulations, and contribute to the development and evaluation of computational models and methods
- Present complex scientific results clearly to interdisciplinary audiences, guide experimental planning, and contribute to strategic project decisions
- Mentor and develop less experienced team members
- Enhance our scientific excellence and external visibility through publications and engagement with the broader scientific community in Berlin and beyond
- PhD in computational chemistry, cheminformatics, chemistry, or related discipline
- Experience in computational drug design, preferably in an industrial setting, enabling close collaboration with medicinal chemistry, structural biology, screening, pharmacology, and pharmacokinetics teams
- Profound expertise in a broad spectrum of computational chemistry techniques applied to drug discovery, including structure- and ligand-based design, protein modeling, molecular dynamics (with advanced analyses), free energy calculations, and machine learning
- Solid understanding of medicinal chemistry fundamentals, includingphysiochemical and ADME properties and their impact on molecule quality and progression
- Expert knowledge of CADD software packages and modern molecular modeling techniques
- Experience with Python scripting and KNIME workflows is a plus
- Excellent presentation skills and ability to thrive in a dynamic, interdisciplinary team environment
- Working proficiency in spoken and written English
- Independent work attitude with excellent teamwork, reliability and flexibility
- A permanent contract and an attractive salary package including a variable bonus payment
- Flexible working hours including a modern workplace and the option of working from home (mobile working)
- 30 days annual leave
- Company pension scheme
- Extensive health prevention offers
- Comprehensive introduction and individual training and development
- BVG job ticket and free parking spaces directly on-site
- A dynamic, future-oriented and employee-oriented company, with room for growth and your own ideas
- Interdisciplinary, agile teams with flat hierarchies
- Work on products and services with high social impact
