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Senior Principal Research Scientist, Computational Chemistry

IDEAYA Biosciences
September 02, 2026
Full-time
Remote friendly (South San Francisco, CA)
Worldwide
Clinical Research and Development
Role: Senior Principal Research Scientist in Computational Chemistry at IDEAYA, focused on small molecule oncology drug discovery. Responsibilities: lead structure-based drug design discussions, support target identification through lead optimization, perform virtual screening, molecular dynamics, quantum mechanics, and cheminformatics analyses to inform medicinal chemistry; mentor scientists; evaluate new computational methods; ensure scientific rigor. Requirements: PhD in Computational Chemistry or related, 9+ years industry experience, expertise in structure-, ligand-, and fragment-based discovery, proficiency in free energy methods, molecular dynamics, quantum mechanics, cheminformatics, and ligand affinity estimation; experience with Schrรถdinger and other modeling software; strong communication skills; programming and data analysis skills; experience with challenging targets like protein-protein interactions; track record in advancing small molecule candidates. HighValue: Oncology therapeutics, small molecules, early to late-stage discovery, industry experience, advanced computational skills, cross-functional collaboration. WorkSetup: Onsite in South San Francisco, with work-from-home flexibility; role requires onsite presence four days/week.