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Senior Principal Research Scientist, Computational Chemistry

Employer
IDEAYA Biosciences
Location
South San Francisco, CA
Posted date
Sep 28, 2026
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Job Details

Non-Solicitation Policy and Notice to Agencies and Recruiters:

IDEAYA's Non-Solicitation Policy strictly prohibits agencies and recruiters from any contact and communication with IDEAYA employees, managers, and leaders to submit unsolicited candidate resumes and/or to solicit business partnerships. Submission of unsolicited candidate resumes by agencies or recruiters with or without a contract in place with IDEAYA Biosciences Inc. will not create any implied obligation. Failure to comply with this policy will result in disqualification from current and future business opportunities with IDEAYA Biosciences. All recruiting and talent agency decisions are strictly managed by the internal IDEAYA Human Resources function. All communication by external agencies and recruiters must be directed to humanresources@ideayabio.com. We ask that you only email your interest once.

Job Summary

Job Description

What you’ll do:

  • Lead structure-based drug design meetings with medicinal chemists and provide senior-level, hands-on drug design and computational chemistry support to small molecule drug discovery project teams

  • Contribute to programs from target identification through lead optimization and drug candidate selection

  • Apply structure-, ligand-, and fragment-based modeling to guide medicinal chemistry design

  • Use molecular dynamics, free energy methods, quantum chemistry, and cheminformatics to address complex design and prioritization questions

  • Translate computational analyses into clear, actionable compound design recommendations

  • Serve as a highly experienced computational contributor and scientific advisor within project teams

  • Mentor and coach other scientists in structure-based drug design through technical guidance and scientific discussion

  • Evaluate new computational methods, tools, and workflows and apply them when they add clear value

  • Maintain scientific rigor, reproducibility, and best practices in an industry drug discovery environment

Requirements:

  • PhD in Computational Chemistry or a related discipline with 9+ years of pharmaceutical or biotechnology industry experience

  • Strong understanding of small molecule drug discovery and medicinal chemistry principles

  • Demonstrated expertise in structure-, ligand-, and fragment-based drug discovery

  • Expertise in free energy perturbation, molecular dynamics, quantum mechanics, cheminformatics, and ligand affinity estimation methods

  • Proven ability to independently deliver computational work that influences medicinal chemistry decisions and project outcomes

  • Ability to manage priorities across multiple discovery programs

  • Excellent oral and written communication skills

  • Experience applying machine learning or AI methods to molecular design, property prediction, or compound prioritization

  • Experience with Schrödinger modeling software and others (e.g., MOE, OpenEye)

  • Programming, scripting, statistics, and data analysis experience applied to drug discovery

  • Experience working on challenging target classes, including protein–protein interactions and allosteric pockets

  • Track record of contributing to discovery programs that advance high-quality small molecule drug candidates

All employees are expected to act with integrity and in full compliance with applicable laws, regulations, and IDEAYA policies, including IDEAYA’s Code of Conduct.

Employees must demonstrate good judgement and ethical behavior in all business activities, maintain patient and product safety as a top priority, and report any suspected violations of law or Company policy through appropriate channels

Total Rewards

Along with our inspiring mission, and highly collaborative and inclusive environment, IDEAYA offers a competitive total rewards package that reflects our pay-for-performance philosophy where employees are eligible to be considered for merit-based salary increases, company discretionary short-term incentive plan participation, and company discretionary stock option awards (based on board approval). Our comprehensive benefits package includes, but is not limited to, medical/dental/vision coverage (100% company paid for employees and 90% company paid for dependents), 401k, ESPP, and wellness programs.

The expected salary range for the roleof Senior Principal Research Scientist, Computational Chemistry is $196,000 - $242,000. The final salary offered to a successful candidate will depend on several factors that may include but are not limited to the office location where this open position is located, the final candidates’ experience within their profession, experience in the disease areas we are striving to make an impact in as a company, length of time within the industry, educational background, and performance during the interview process.

The Company complies with all laws respecting equal employment opportunities and does not discriminate against applicants with regard to any protected characteristic as defined by federal, state, and local law.

IDEAYA is an equal opportunity employer. In accordance with applicable law, IDEAYA does not discriminate in hiring or otherwise in employment based on race, color, religion, sex, national origin, age, marital or veteran status, disability, sexual orientation, or any other legally protected status. EOE/AA/Vets.

By clicking apply, your email address will be shared with the employer.