Senior Computational Chemist — AI-Driven Drug Discovery & SBDD

Iambic Therapeutics, Inc.; Northern, San Diego (KY, CA); Hybrid; USD 150,000 - 190,000; Full time

Benefits offered by this job

Competitive pay

Company paid healthcare

Flexible spending accounts

Voluntary life insurance

401K matching

Uncapped vacation

Job summary

Iambic Therapeutics, Inc. is seeking a skilled Computational Chemist to join the Computational Sciences group in San Diego, with remote options for outstanding candidates.

You will drive drug discovery through ligand- and structure-based methods, collaborating with ML scientists and medicinal chemists to advance hit identification, lead optimization, and candidate selection. The role requires a PhD in computational chemistry with hands-on experience in drug discovery, proficiency in Python, and

Qualifications

• PhD in computational chemistry (or related field) with 2+ years of drug discovery experience.
• Experience supporting active small molecule programs.
• Proficiency in Python for scientific computing and workflow development.
• Excellent written and verbal communication; ability to present to diverse audiences.

Responsibilities

• Apply ligand and structure-based approaches across hit identification to lead optimization.
• Guide SAR and integrate computational predictions with bioactivity data.
• Collaborate with medicinal chemists to design virtual libraries and actionable designs.
• Partner with ML scientists to integrate SBDD with transformer-based predictions.
• Evolve protein-ligand co-folding technology to yield structural hypotheses.
• Translate questions into computational workflows and deliver results.
• Present results to internal teams and external partners.
• Develop, validate, and maintain computational workflows and tools.

Skills

Python for scientific computing

Communication skills

Drug discovery experience

Cross-functional collaboration

Education

PhD in Computational Chemistry

Tools

MOE

Schrödinger

OpenEye

Job description

Iambic Therapeutics, Inc. is seeking a skilled Computational Chemist to join the Computational Sciences group in San Diego, with remote options for outstanding candidates.

You will drive drug discovery through ligand- and structure-based methods, collaborating with ML scientists and medicinal chemists to advance hit identification, lead optimization, and candidate selection. The role requires a PhD in computational chemistry with hands-on experience in drug discovery, proficiency in Python, and