Associate Principal Scientist, Computational Chemistry

Overview

Associate Principal Scientist, Computational Chemistry – Neomorph

Neomorph is seeking an experienced Associate Principal Scientist to join our Computational Chemistry team. This individual contributor role thrives in a fast-paced startup environment and focuses on targeted protein degradation and small molecule drug discovery. You will advance discovery programs from target assessment through candidate nomination and partner with medicinal chemistry, structural biology, biophysics, and biology to integrate computational strategies into program decision-making. You will also help evolve Neomorph’s computational capabilities by championing innovation and deploying novel tools and methods.

Key Responsibilities

• Serve as a scientific lead and primary computational chemistry contributor on one or more drug discovery programs, guiding design strategies through all phases of the discovery process.
• Integrate structure- and ligand-based design, cheminformatics, and predictive modeling to accelerate hit identification, hit-to-lead, and lead optimization.
• Design and prioritize novel compounds using hypothesis-driven approaches informed by structural data, SAR, molecular modeling, and ML / AI tools.
• Apply and enhance computational chemistry methodologies, including protein–ligand docking, molecular dynamics (MD), free energy calculations, and ADMET prediction.
• Collaborate cross-functionally to influence program strategy and compound design, bringing depth and creativity to design hypotheses.
• Explore and evaluate new computational tools, workflows, and platforms to expand Neomorph’s internal capabilities.
• Mentor and provide scientific guidance to colleagues across functions; contribute to project team leadership through influence.
• Present findings and strategic recommendations to cross-functional teams and scientific leadership.

Required Qualifications

Preferred Qualifications

What we offer

Work / Life and Benefits

About Us

Neomorph is a venture-backed biotechnology company solving critical problems in human health through discovery and development of medicines against undruggable targets. We are leaders in protein degradation and molecular glue drug discovery, committed to advancing science and technology while pursuing a diverse, inclusive work environment. Neomorph is headquartered in San Diego, California, and is an equal opportunity employer. We comply with all applicable laws and do not discriminate on protected characteristics.

Note to agencies : Neomorph will not accept unsolicited assistance from recruiting / search agencies for this opportunity. All resumes submitted without a valid written agreement will be deemed the property of Neomorph.

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