Senior Scientist - Data Science / Modelling for Biologics

Category:  Research

Måløv, Capital Region of Denmark, DK


Are you enthusiastic about driving the design of next generation biologics that will change the life of patients with diabetes and other serious chronic diseases? Are you an expert in employing computational peptide and protein design techniques and have a deep curiosity for modern data science technologies? Do you also believe that AI technologies will fundamentally change the way we do drug discovery? Then you could be our next Modelling / Cheminformatics expert in the ‘Molecular Modelling & Design’ department at Novo Nordisk A/S.


About the Department

The ‘Molecular Modelling & Design’ department is a part of the ‘Digital Science & Innovation’ area in ‘Research and Early Development’ (R&ED) and located in Måløv, DK. We collaborate closely with other research scientists in early research to improve and accelerate the design of new drug candidates. A key part of our work is to employ and develop structure-based and machine learning/data driven modelling approaches to improve functional and biophysical properties of biologics, such as nucleotides, peptides, proteins, and antibodies.


About the Position

A key part of the role will be to further develop our Modelling/AI workflow for data-driven compound design, including the integration of novel ML technologies for protein structure predictions, biophysical property predictions, and variant design. Another aspect of the position will be to drive the development of novel SAR visualization and analysis tools and ensure its best usage within selected projects. The position requires close collaboration with other research scientists in multidisciplinary project teams as well as our data science and machine learning colleagues across the global sites of the ‘Digital Science & Innovation’ area.


Key responsibilities:

  • Develop predictive models for biologics design as well as SAR analysis and visualization methods and integrate them into the in house in silico pipeline to enable multi-objective compound design and data-driven decision making
  • Apply predictive models for biologics design, including developability engineering and experimental design of high-throughput variant libraries in the research projects
  • Review technology landscape and build external collaborations with key partner in the AI field for biologics


The ideal candidate has a general curiosity and excellent track record within drug discovery, molecular modelling, and/or machine learning technologies, is able to identify and address key project challenges, can collaborate well within a multidisciplinary environment, has a positive attitude towards challenges, takes the initiative for driving projects, and can stay on top of things in a dynamic working environment.



  • A PhD degree within a computational chemistry or biology discipline, such as Computational Chemistry, Molecular Modelling or Bio-/Cheminformatics, and 2+ years of drug discovery experience in relevant pharma/biotech R&D environment or comparable track record of post graduate experience in academia
  • Strong track record in the development and application of AI/ML for de novo design and/or compound property predictions, preferably for biologics
  • Broad knowledge of cheminformatics, bioinformatics, and QSAR methods and experience with the development of related data analysis pipelines and visualizations
  • Fluent in Python, data-workflow tools, and data science packages like scikit-learn and pandas
  • Experience with protein modelling software programs such as Rosetta, Schrodinger and/or MOE is considered a plus
  • Excellent interpersonal skills with an ability to respond to shifting priorities in a dynamic setting, a positive attitude towards challenges, and great communication skills to thrive in a multidisciplinary, collaborative working environment

For further information, please contact Simone Fulle (



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At Novo Nordisk we recognize that it is no longer good enough to aspire to be the best company in the world. We need to aspire to be the best company for the world and we know that this is only possible with talented employees with diverse perspectives, backgrounds and cultures. We are therefore committed to creating an inclusive culture that celebrates the diversity of our employees, the patients we serve and communities we operate in. Together, we’re life changing.