Principal Scientist/Research Fellow, Molecular Modelling

Principal Scientist/Research Fellow, Molecular Modelling & Structural Biology

Are you ready to make an impact on drug discovery? We are seeking a skilled Computer-Aided Drug Discovery scientist to join our team.

Your new role

Your main responsibilities will be to drive drug discovery projects by identifying, developing, and delivering high quality modelling approaches and hypothesis for design in a timely manner. You will be directly involved in the drug discovery project teams, where you will proactively lead modelling by using innovative approaches, including physics-, and ML/AI-based methods for prioritization and design. You will have a high impact on drug discovery campaigns by driving project strategies, from hit finding, lead optimization and drug candidate selection.

Your future team

The Molecular Modelling & Structural Biology team is working closely together with Medicinal Chemistry and Biotherapeutic Discovery. You will join a team of 6 scientists with different backgrounds, all contributing with their expertise to build a dynamic team advancing Lundbeck's drug discovery projects. We are responsible for Modelling/Computer-Aided Drug Design and Structural Biology supporting multiple modalities. We are fully integrated in the discovery process, working in multi-disciplinary chemistry or biologics projects from early-stage hit-finding, lead optimization, to candidate selection.

The position is based in Copenhagen, Denmark.

What you bring to the team

· You are an experienced, collaborative, and communicative modeller with a proven history of impact in drug discovery projects.

· You have a PhD in Computational Chemistry, Computational Structural Biology, or related field and several years of experience in Pharmaceutical Industry, comprehensive knowledge and experience with most Computer-Aided Drug Design concepts and techniques, including ML/AI- and Physics-based methods using industry standard modelling tools, MD simulations, FEP, and AlphaFold-like models.

· You have extensive experience in small molecule Drug Discovery, or protein/antibody engineering, including solving antibody engineering related challenges, like humanization, immunogenicity, and developability.

Our promise to you

Lundbeck offers an inspiring workplace and innovative culture, where our curiosity, accountability and adaptability enable us to transform lives. We want to go faster and further on addressing the big unmet needs of people living with brain disorders. We offer rewarding careers with a mix of exciting tasks and development opportunities that are balanced with initiatives focused on your well-being.

We need every brain in the game, and at Lundbeck, we are committed to building a workforce that is as diverse as the people we serve. Read more about our commitment at 

Apply now

Can you see yourself in this role? We want to hear from you. Does this sound like your dream job, but you're not sure if you meet all the requirements? We still want to hear from you

Upload your CV and include a few lines about your motivation for applying. We ask you not to include a photo or personal information that does not relate to your professional experience.

If you have questions, please contact Henrik Keränen, Senior Manager,

Applications must be received by December 3rd, 2025. We will conduct interviews as we receive applications. 

Learn more about us at , LinkedIn or Instagram (@h_lundbeck).

#EveryBrainInTheGame

This job ad is intended for individuals seeking a career opportunity with Lundbeck. We engage with recruitment and search firms where needed on the basis of a written agreement, and we do not accept unsolicited requests of any kind. If you work as a recruitment consultant, you are kindly instructed to refrain from contacting Lundbeck or the hiring manager directly with suggested candidates. If you violate this policy, you do so at your own risk and for your own account, and Lundbeck will not assume any liability nor pay any associated fees resulting from such violation.