Principal Computational Scientist, Discovery Chemistry
Core
Lead computational science and machine learning to drive peptide therapeutic discovery from hits to clinical candidates.
Role type
Principal Computational Scientist (Discovery Chemistry)
Builds
Computational platforms, predictive models, and data pipelines for peptide design and optimization.
Domain
Biopharmaceuticals / Computational Chemistry / AI for Drug Discovery
Deliverable
production ML models | product features
Required skills
computational chemistry, molecular modeling (docking, simulation, homology modeling, QM), machine learning, Python, cloud/HPC, data infrastructure
Preferred skills
non-canonical amino acids, MOE/Schrodinger/OpenEye/Rosetta, AI/ML for molecular design, cheminformatics, scientific publication
Technologies
Python, cloud computing, HPC, MOE, Schrodinger, OpenEye, Rosetta
Responsibilities
Develop advanced computational methods for target and peptide modeling; implement ML models to predict peptide properties; design and deploy unified computational platforms; apply AI/ML for protein-ligand co-folding and generative models; implement scalable data infrastructure for NGS and structural biology data; collaborate with wet-lab scientists and cross-functional teams.
Seniority
Principal, strategy & mentorship