Senior Computational Chemist—Drug Discovery & ML Synergy

Iambic; San Diego (CA); On-site; USD 124,000 - 172,000; Full time

Benefits offered by this job

Competitive pay

Company healthcare

401K matching

Uncapped vacation

Job summary

Iambic Therapeutics is seeking a Computational Chemist to join the Computational Sciences group in San Diego. You will apply advanced ligand and structure-based methods to drive drug discovery, collaborating with ML scientists, medicinal chemists, and biologists on hit identification, lead optimization, and candidate selection.

This hands-on role requires expertise in computational chemistry, familiarity with co-folding approaches, and a proactive drug-hunter mindset.

Qualifications

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

Responsibilities

• Apply ligand and structure-based approaches across hit identification, lead optimization, and lead development.
• Guide SAR insights and integrate computational predictions with bioactivity data.
• Collaborate with medicinal chemists to design, evaluate and prioritize virtual libraries and designs.
• Work with ML scientists to integrate SBDD methods with transformer-based property prediction.
• Develop and maintain computational workflows and tools; present results to teams and partners.

Skills

Python

Ligand design

Structure-based design

MD simulations

Cross-functional collaboration

Education

PhD in computational chemistry

Tools

MOE

Schrödinger

OpenEye

Job description

Iambic Therapeutics is seeking a Computational Chemist to join the Computational Sciences group in San Diego. You will apply advanced ligand and structure-based methods to drive drug discovery, collaborating with ML scientists, medicinal chemists, and biologists on hit identification, lead optimization, and candidate selection.

This hands-on role requires expertise in computational chemistry, familiarity with co-folding approaches, and a proactive drug-hunter mindset.