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Senior/Principal Scientist in Computational Chemistry

On-site Full-time

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Experience Level

Senior

Qualifications

Required:PhD or equivalent in Computational Chemistry (or a related field) with a minimum of 5 years of experience in an industrial drug discovery setting. Proven experience in supporting active small molecule drug discovery programs. Experience with ligand and structure-based drug design methodologies.

About the job

JOB SUMMARY

Iambic Therapeutics is on the lookout for a talented and highly motivated Senior/Principal Scientist specializing in Computational Chemistry to join our innovative Computational Sciences team at our San Diego headquarters. As a vital contributor, you will leverage advanced ligand and structure-based methodologies to propel our drug discovery initiatives. You will actively engage with research teams focused on developing groundbreaking therapeutics across various indications. Collaborating closely with experts in machine learning, medicinal chemistry, and biology, you will implement state-of-the-art Structure-Based Drug Design (SBDD) techniques throughout hit identification, lead optimization, and candidate selection phases. This hands-on position demands robust expertise in computational chemistry, a keen interest in co-folding applications, and a proactive drug-hunter mindset.

KEY RESPONSIBILITIES

  • Utilize diverse ligand and structure-based strategies during the hit identification, lead optimization, and candidate selection phases (including cheminformatics, pharmacophore modeling, docking, shape-based virtual screening, de novo molecular design, and molecular dynamics simulations).

  • Lead design cycles by identifying structure-activity relationships and integrating computational predictions with bioactivity data.

  • Collaborate with medicinal chemists to design, assess, and prioritize virtual libraries, proposing concrete molecular designs.

  • Work alongside machine learning scientists to meld SBDD methodologies with our proprietary transformer-based property prediction technology (Enchant).

  • Enhance and utilize our proprietary protein-ligand co-folding technology (NeuralPLexer) to generate novel and actionable structural hypotheses.

  • Translate scientific inquiries into computational workflows, delivering actionable insights.

  • Present findings to project teams, elucidating methods, implications, and recommendations.

  • Develop, validate, and maintain computational workflows and tools.

QUALIFICATIONS

Required:

  • PhD or equivalent in Computational Chemistry (or a related field) with a minimum of 5 years of experience in an industrial drug discovery setting.

  • Proven experience in supporting active small molecule drug discovery programs.

  • Experience with ligand and structure-based drug design methodologies.

About Iambic Therapeutics

Iambic Therapeutics is dedicated to advancing healthcare through innovative drug discovery. Our team is comprised of experienced scientists and researchers who are committed to developing effective therapeutics for a variety of diseases. Located in San Diego, our headquarters fosters collaboration and cutting-edge research in the field of computational sciences.

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