Senior Expert Data Scientist (peptide design and protein/ligand co-folding)

Role Responsibilities

• Apply AI technologies to drive progress in drug discovery projects with a focus on protein biology, including protein–ligand co-folding and peptide design.
• Collaborate with wet-lab specialists (structural biologists, biophysicists, protein chemists) to move structure-informed drug discovery forward using innovative, AI-enabled strategies.
• Develop and adapt structure-based computational methodologies tailored to project objectives.
• Integrate proprietary data from protein crystallography, biomolecular NMR, cryo-EM, biophysics, and screening into predictive AI models.
• Leverage internal and external protein data resources to create impact in drug discovery.

Candidate Profile

• PhD or equivalent experience in structural biology, bioinformatics, cheminformatics, molecular modeling, or a related scientific discipline.
• Must have direct experience with modern computational tools for protein and peptide design, as well as co-folding applications.
• Solid understanding of molecular recognition and protein-ligand binding energetics.
• Competence with machine learning frameworks such as PyTorch or TensorFlow.
• Proficiency in scripting languages (Python, R) and high-performance computing environments on Linux.
• Experience automating workflows and scripting for large-scale data processing.
• Ability to work effectively in fast-paced, innovative settings focused on solution-driven approaches.
• Strong communication skills, able to present complex findings clearly in both spoken and written formats.

Desirable Qualifications

• Understanding of drug discovery and structure-based drug design.
• Experience with advanced machine learning techniques.
• Familiarity with relational databases and SQL.
• Experience utilizing AWS resources.
• Background in protein and peptide design.
• Expertise in structural biophysics methods.
• Experience working at the wet-dry lab interface.

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