Lead Scientist in Computational Drug Discovery

Does it excite you to work at the forefront of computational drug discovery, using structure-based design and AI-driven protein and peptide modeling to shape the next generation of peptide therapeutics? If this sounds like you, and you are ready to take on a broad area of responsibilities, then you could be our new colleague.

Your new position as a Lead Scientist, you will execute structure-guided design and computational analyses with a focus on immediate deliverables and operational objectives, using advanced analytical and technical skills to support drug discovery projects from early hits through lead selection. You will apply structure-based design methods and modern AI/ML approaches to generate and optimize novel hits, working closely with experimental colleagues to translate structural insight into concrete design decisions. Depending on project needs, this may also include building and applying computational models to support prediction and design efforts. You will work independently and will help develop and maintain computational workflows and tools that support the wider Discovery Research organization.

We offer exciting responsibilities:

• Co-develop discovery hypotheses and molecular design strategies together with experimental colleagues
• Provide structure-guided analysis and actively participate in drug discovery projects, from early hits to lead selection
• Generate de novo hits and optimize existing hits with computational methods
• Develop and maintain computational workflows within the computational drug discovery pipeline
• Develop and maintain computational tools for the Discovery Research organization

Your profile

A lead scientist with advanced knowledge and skills in computational drug discovery, comfortable executing tasks independently while knowing when to seek guidance on more complex problems. You bring strong technical proficiency to offer insightful advice, refine processes, and produce analyses that inform higher-level decisions and project optimization. You coordinate naturally with project teams and stakeholders across functions and enjoy translating computational results into real impact on drug discovery projects.

• PhD in Computational Chemistry, Bioinformatics, Computational Biology, or a related field
• 3+ years of industrial or other relevant post-degree experience in computational drug discovery
• Experience with structure-based drug design tools and methods, including molecular modeling and molecular dynamics simulations
• Strong Python programming skills and familiarity with version control systems
• Familiarity with Linux and HPC environments
• Familiarity with AI-based peptide and protein structure prediction and design methodologies, and/or machine learning predictive models for drug property prediction is an advantage

Your new team

You are to join the team in the Medicinal & Computational Chemistry team, a mix of scientists at varying levels of experience and laboratory technicians, working together to drive structure-based and computational approaches across our drug discovery pipeline.

Let's bond and be bold

We have a unique culture, characterized by excellent teamwork and strong engagement across the organization. And we want you to help us strengthen this culture Making bonds is at the core of everything we do. From discovering and developing the best new peptide drugs for patients, to engaging with our partners or connecting with each other. We bond through curiosity and playfulness as a team, allowing ourselves to challenge common thinking and drive future innovation. Join us and let's bond and be bold.

Interested in bonding with us? Then please apply no later than November 27, 2026, or as soon as possible. The applications will be reviewed as they come in. While a cover letter is not required, please include a few sentences in your CV explaining your motivation for applying.

For further information, please contact Magnus Gustafsson, Senior Director, Head of Medicinal & Computational Chemistry, [email protected].

We are committed to an inclusive recruitment process and welcome applications from all job applicants.

About Zealand Pharma A/S Zealand Pharma A/S (Nasdaq: ZEAL) is a biotechnology company focused on advancing medicines for obesity and metabolic health. Combining more than 25 years of peptide R&D expertise with a proprietary data platform that leverages advanced data-driven and AI/ML approaches, Zealand Pharma aims to lead a new era in obesity and metabolic health. To date, more than ten Zealand Pharma-invented drug candidates have entered clinical development, of which two products have reached the market and three candidates are in late-stage development. The Company has collaborations with global pharmaceutical and biotechnology partners for research, development, and commercialization. Founded in 1998, Zealand Pharma is headquartered in Copenhagen, Denmark, with a U.S. presence in Boston, Massachusetts. Learn more at www.zealandpharma.com.

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