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Iambic Therapeutics, a clinical-stage AI-driven drug discovery company founded in 2020, is seeking a Research Scientist II in Computational Chemistry to join its Computational Sciences group in San Diego. This is a hands-on, technical role at the intersection of computational chemistry and AI-augmented drug discovery.
You will apply advanced ligand and structure-based computational techniques to drive small molecule drug discovery across multiple therapeutic indications. Working in cross-functional teams with machine learning scientists, medicinal chemists, and biologists, you will leverage cutting-edge structure-based drug design (SBDD) methods throughout hit identification, lead optimization, and candidate selection phases.
Key responsibilities include: applying a range of computational approaches (cheminformatics, pharmacophore modeling, docking, virtual screening, de novo design, molecular dynamics simulation); guiding design cycles through structure-activity relationship analysis; partnering with medicinal chemists to design and prioritize virtual libraries; integrating SBDD methods with Iambic's proprietary transformer-based property prediction technology (Enchant); leveraging the proprietary protein-ligand co-folding platform (NeuralPLexer) to generate novel structural hypotheses; translating scientific questions into computational workflows; presenting results to internal teams and external partners; and developing, validating, and maintaining computational tools and workflows.
Required qualifications: PhD or equivalent in computational chemistry or related field with 2+ years of relevant drug discovery experience; active support of small molecule drug discovery programs; hands-on experience with ligand and structure-based design tools; proficiency in Python for scientific computing and workflow development; excellent communication skills for articulating complex concepts to diverse audiences.
Strongly preferred: industry experience with active drug discovery; familiarity with molecular modeling platforms (MOE, Schrödinger, OpenEye); experience with MD simulation, docking, and advanced binding affinity prediction (MM/GBSA, FEP); ML-augmented small molecule discovery background.
Iambic offers competitive compensation, company-paid healthcare, flexible spending accounts, life insurance, 401(k) matching, uncapped vacation, and a state-of-the-art San Diego facility with onsite gym and dining.
