Senior Principal Research Scientist, Computational Chemistry (AI)

Location: South San Francisco, California; onsite four days per week with work-from-home flexibility

Salary: $196,000–$242,000 per year

Company

hirify.global is a precision medicine oncology company developing targeted small-molecule therapies and antibody-drug conjugates for genetically defined solid tumors.

What you will do

• Lead structure-based drug design meetings and provide hands-on computational chemistry support to small-molecule discovery teams.
• Support programs from target identification and druggability assessment through hit discovery, lead optimization, and candidate selection.
• Apply structure-, ligand-, and fragment-based modeling, molecular dynamics, free energy methods, quantum chemistry, and cheminformatics.
• Translate computational analyses into actionable recommendations for potency, selectivity, functional activity, and developability.
• Evaluate computational methods, tools, and workflows while maintaining scientific rigor and reproducibility.
• Mentor and coach scientists and serve as a senior computational advisor across project teams.

Requirements

• PhD in computational chemistry or a related discipline and 9+ years of pharmaceutical or biotechnology industry experience.
• Strong knowledge of small-molecule drug discovery, medicinal chemistry, and structure-, ligand-, and fragment-based approaches.
• Expertise in free energy perturbation, molecular dynamics, quantum mechanics, cheminformatics, and ligand affinity estimation.
• Experience applying machine learning or AI to molecular design, property prediction, or compound prioritization.
• Experience with Schrödinger modeling software and tools such as MOE and OpenEye, plus programming, scripting, statistics, and data analysis.
• Track record of influencing medicinal chemistry decisions and advancing small-molecule candidates, including work on protein–protein interactions and allosteric pockets.

Culture & Benefits

• Collaborative, inclusive, data-driven environment focused on precision oncology and improving outcomes for cancer patients.
• Medical, dental, and vision coverage, with 100% company-paid coverage for employees and 90% company-paid coverage for dependents.
• 401(k), employee stock purchase plan, wellness programs, and eligibility for merit-based increases, short-term incentives, and stock options.
• Work-from-home flexibility alongside required onsite collaboration and meetings.