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Scientist (m/w/d) Computational Chemistry
* Full Time
* Hybrid
* Berlin, Deutschland
* With Professional Experience
* 1/15/26
RESPONSIBILITIES
* 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 preiction 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
QUALIFICATIONS
* PhD in computational chemistry, cheminformatics, chemistry, or a 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
WE OFFER
* 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
Contact person
Rosa Tuna-Lavaccara
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