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

Job Title

This team within Discovery Sciences at Novartis Biomedical Research is at the forefront of integrating AI-powered tools into the drug discovery pipeline. Through collaboration in multidisciplinary and cross-functional teams, we are driving the adoption of these technologies to advance early-stage drug discovery, including the development of wet lab workflows informed by computational (in-silico) results—and vice versa. If you thrive on turning scientific challenges into computational solutions that enhance data-driven drug discovery, we encourage you to apply today. As part of a global Data Science group, you will engage with experts in structural bioinformatics, computational biology, cheminformatics, and imaging. This position offers a unique opportunity to apply cutting-edge structure-based AI approaches—such as protein–ligand co-folding and peptide design—to generate meaningful impact through collaborative wet and dry lab work.

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.

Skills Desired

Apache Hadoop, Applied Mathematics, Big Data, Curiosity, Data Governance, Data Literacy, Data Management, Data Quality, Data Science, Data Strategy, Data Visualization, Deep Learning, Machine Learning (ML), Machine Learning Algorithms, Master Data Management, Proteomics, Python (Programming Language), R (Programming Language), Statistical Modeling