Research Scientist II/Senior, Computational Chemistry
$124,000–$172,000 year
RemoteUnited States
Job Summary
Apply ligand and structure-based approaches across hit identification, lead optimization, and candidate selection phases using cheminformatics, docking, and de novo molecular design. Guide design cycles by identifying structure-activity relationships and integrating computational predictions with bioactivity data. Partner with medicinal chemists to evaluate virtual libraries and with ML scientists to integrate proprietary property prediction and co-folding technologies. Translate scientific questions into computational workflows, develop and maintain tools, and present results to internal teams and external partners. This hands-on role drives drug discovery efforts within Iambic's AI-driven platform, requiring a proactive mindset to yield actionable structural hypotheses.
Required Qualifications
- PhD or equivalent degree in computational chemistry (or related field) with 2+ years of relevant experience in drug discovery
- Experience supporting active small molecule drug discovery programs
- Experience with ligand and structure based design tools
- Proficiency in Python for scientific computing, data analysis, and computational workflow development
- Excellent written and verbal communication skills; must be able to articulate complex scientific concepts, technical challenges, and results clearly and concisely to diverse audiences
- This position will be based in our San Diego Headquarters, with exceptions for outstanding candidates to work remotely
Desired Qualifications
- Industry experience supporting active drug discovery programs
- Experience with molecular modeling platforms such as MOE, Schrödinger, OpenEye, or equivalent tools
- Familiarity with MD simulation, molecular docking and advanced binding affinity prediction methods (e.g. MM/GBSA, FEP)
- Experience with ML-augmented small molecule discovery
Hiring someone like this?
Get your role in front of qualified candidates on Sorce.