Senior Scientist, Computational Chemistry

Responsibilities

• Apply a range of ligand and structure-based approaches across hit identification, hit to lead and lead optimization phases (e.g. cheminformatics, pharmacophore modeling, docking and shape-based based virtual screening, de novo molecular design, MD simulation)
• Guide design cycles through the identification of structure-activity relationships and the 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 our proprietary transformer-based property prediction technology (Enchant)
• Leverage and evolve our proprietary protein-ligand co-folding technology (NeuralPLexer) to yield novel and actionable structural hypotheses
• Translate scientific questions into computational workflows and deliver actionable results
• Present results to project teams, explaining methods, implications and recommendations
• Develop, validate, and maintain computational workflows and tools

Requirements

• Required:
• PhD or equivalent degree in computational chemistry (or related field) with 5+ years of experience working in an industry drug discovery environment
• Experience supporting active small molecule drug discovery programs
• Experience with ligand and structure based design tools
• Python programming
• Strongly preferred:
• Familiarity with MOE molecular modeling package
• Familiarity with MD simulation and advanced binding affinity prediction methods (e.g. MM/GBSA)
• Experience with ML-augmented small molecule discovery
• Experience in the application of co-folding for small molecule discovery
• ABOUT IAMBIC THERAPEUTICS
• MISSION & CORE VALUES
• PAY AND BENEFITS

Benefits

Additional Information

JOB SUMMARY We are seeking a skilled and highly motivated Computational Chemist to join our Computational Sciences group at the Iambic Therapeutics headquarters in San Diego. You will be a key player in the application of advanced ligand and structure-based techniques to drive our drug discovery efforts. You will play an active role in the research teams pursuing important therapeutics across multiple indications. You will work in a cross-functional team, collaborating closely with machine learning scientists, medicinal chemists and biologists to apply cutting edge SBDD methods across hit identification, lead optimization, and candidate selection phases. This is a hands-on role, requiring technical expertise in computational chemistry, a strong interest in the application of co-folding, familiarity with the drug discovery process and a proactive drug-hunter mindset. This role is based in our San Diego Headquarters.

Your Match

How well this role fits your profile.

Company Intel

What employees say

Worked at iambic-therapeutics? Share your experience