About the role
We are looking for a Computational Biologist to design and implement workflows for protein complex prediction, combining structural biology, computational modelling, and basic machine learning skills where needed to support the workflow.
Key Focus of the Role:
- Workflow design and implementation, not software development from scratch
- Applied modelling, not method development
Key responsibilities
- Develop and apply workflows for protein complex prediction, including:
- Protein–protein and Protein-ligand docking
- Cofolding-based modelling approaches
- Multi-protein complex prediction
- Integrate and optimize existing tools and models (e.g., AlphaFold-like, Boltz or similar) into robust workflows
- Collaborate with R&D scientists to translate biological questions into computational strategies
- Analyze and interpret modelling results to guide downstream experimental work
Required Qualifications
- MSc in computational biology, computational chemistry, structural bioinformatics, or related field
- Strong Python skills (including experience with RDKit, PyTorch or Biotie)
- Proven experience with protein structure and complex modelling workflows
- Hands-on experience with:
- Protein–protein interactions
- Docking and/or cofolding approaches
- Structural biology tools and modelling software
- Familiarity with modern protein modelling frameworks (e.g., AlphaFold, Boltz or similar)
- Ability to combine and adapt existing tools into practical workflows
- Strong problem-solving skills and ability to work across biology and computation
- Clear written and verbal communication
Preferred Qualifications
- PhD in a relevant field
- Experience with molecular dynamics or enhanced sampling
- Basic understanding of machine learning models in structural biology

