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Scientist (m/f/d) Computational Chemistry

icon building Unternehmen : Nuvisan
icon briefcase Auftragstyp : Vollzeit

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Arbeitsbeschreibung - Scientist (m/f/d) Computational Chemistry



  • 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, including physiochemical 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



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