Research Scientist II/Senior, Computational Chemistry

The role

You will apply ligand and structure-based techniques to drive drug discovery efforts. You will work in a cross-functional team collaborating with machine learning scientists, medicinal chemists, and biologists.

What you will do

• Apply ligand and structure-based approaches across hit identification, hit to lead and lead optimization phases
• Guide design cycles through identification of structure-activity relationships and integration of computational predictions with bioactivity data
• Partner with medicinal chemists to design, evaluate and prioritize virtual libraries and propose actionable molecular designs
• Partner with ML scientists to integrate SBDD methods with proprietary transformer-based property prediction technology
• Leverage and evolve proprietary protein-ligand co-folding technology to yield novel and actionable structural hypotheses
• Translate scientific questions into computational workflows and deliver actionable results
• Present results to internal project teams and external partners
• Develop, validate, and maintain computational workflows and tools

Required qualifications

• PhD or equivalent degree in computational chemistry (or related field)
• 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

Nice to have

• 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

Benefits

• Company-paid medical coverage
• Flexible spending accounts
• Voluntary life insurance
• 401(k) matching
• Flexible time off
• State-of-the art facility with a community gym and dining

About the company

Iambic Therapeutics is a technology and clinical-stage life sciences company headquartered in San Diego. The company utilizes molecular superintelligence by integrating proprietary AI with automated, scalable chemistry and biology experimentation.