Senior Computational Chemist – Drug Discovery & AI

Iambic Therapeutics, Inc; San Diego (CA); Hybrid; USD 140,000 - 190,000; Full time

Benefits offered by this job

Company-paid healthcare

401(k) matching

Uncapped vacation

Job summary

Iambic Therapeutics, Inc. is seeking a Computational Chemist to advance drug discovery using ligand- and structure-based methods.

You will join the Computational Sciences group in San Diego and work with ML scientists, medicinal chemists, and biologists to drive hit identification, lead optimization, and candidate selection. The position emphasizes hands-on chemoinformatics, MD simulation familiarity, and proactive drug-hunter mindset, with remote-work options for outstanding candidates.

Qualifications

• PhD or equivalent 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 articulate complex scientific concepts clearly.

Responsibilities

• Apply ligand and structure-based approaches across hit identification, lead optimization and SAR analyses.
• Guide design cycles through SAR and integration of computational predictions with bioactivity data.
• Collaborate with medicinal chemists to design, evaluate and prioritize virtual libraries and designs.
• Partner with ML scientists to integrate SBDD with transformer-based property prediction tech.
• Develop, validate and maintain computational workflows and tools.
• Present results to project teams and external partners with clear implications and recommendations.
• Engage in external partnerships and contribute to onward discovery strategies.

Skills

Python

Computational chemistry

Drug discovery

Communication

Collaboration

Education

PhD in computational chemistry or related field

Tools

MOE

Schrödinger

OpenEye

Job description

Iambic Therapeutics, Inc. is seeking a Computational Chemist to advance drug discovery using ligand- and structure-based methods.

You will join the Computational Sciences group in San Diego and work with ML scientists, medicinal chemists, and biologists to drive hit identification, lead optimization, and candidate selection. The position emphasizes hands-on chemoinformatics, MD simulation familiarity, and proactive drug-hunter mindset, with remote-work options for outstanding candidates.