Scientist, Research Associate - Small Molecule Design

Company: SystImmune Inc.
Location: Redmond
Posted on: April 15, 2025

Job Description:

SystImmune Inc. is a cutting-edge biopharmaceutical company that leverages Artificial Intelligence (AI) and machine learning to accelerate drug discovery. Our AI-driven platform is transforming the process of discovering novel therapeutics for various diseases, including cancer and infectious diseases. We are seeking a highly skilled and motivated Scientist, Research Associate to join our team in AI drug design (AIDD).Job Summary:We are looking for a talented Scientist, Research Associate with expertise in AI-driven small molecule design, generative molecule design, molecular dynamics, QSAR, and docking simulations to contribute to our AI-driven drug discovery efforts. The successful candidate will work closely with our interdisciplinary team to apply computational methods and machine learning techniques to discover and design novel small molecules that can be developed into therapeutic drugs.Key Responsibilities:

• Design and optimize small molecule ligands using molecular dynamics simulations, QSAR modeling, and docking techniques
• Develop and apply AI-driven approaches to predict molecular properties, optimize drug-like characteristics, and enhance lead development
• Utilize molecular modeling software (e.g., AutoDock, Schrodinger, Open Babel) to perform docking simulations, virtual screening, and binding affinity predictions
• Apply generative models (e.g., Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs)) to design novel small molecules with desired properties
• Utilize machine learning algorithms (e.g., deep learning, random forests) to analyze large datasets and identify patterns that inform small molecule design decisions
• Analyze and interpret computational data to guide decision-making in the drug design process, focusing on optimizing molecular properties such as pharmacokinetics, toxicity, and efficacy
• Collaborate with cross-functional teams, including medicinal chemistry, biology, and computational biology, to integrate AI methods into drug discovery workflows
• Stay updated on the latest advancements in small molecule design, generative molecule design, molecular dynamics, QSAR, and docking simulations, and apply state-of-the-art methods to improve drug discovery processesRequirements:
  • Master's or Ph.D. degree in Computational Chemistry, Bioinformatics, Biophysics, Medicinal Chemistry, or a related field
  • 2+ years of experience in small molecule design, molecular dynamics, QSAR, and docking simulations
  • Strong background in computational chemistry and machine learning techniques (e.g., deep learning, generative models)
  • Experience with AI-driven small molecule design tools and platforms (e.g., DiffDock, ProteinMPNN, RDKit)
  • Proficiency in programming languages such as Python, R, or C++, and experience with molecular modeling software and machine learning frameworks (e.g., TensorFlow, PyTorch)
  • Excellent communication skills with the ability to present complex data to both technical and non-technical stakeholdersPreferred Qualifications:
    • Experience with generative models for molecular design, such as GANs, VAEs, or Reinforcement Learning
    • Familiarity with AI-driven drug discovery software and platforms (e.g., DiffDock, ProteinMPNN)
    • Contributions to scientific publications and conference presentations in the field of small molecule design and computational chemistryWhat We Offer:
      • Competitive salary range: $80,000 - $150,000 per year, commensurate with skills, experience, and qualifications
      • Comprehensive benefits package, including medical, dental, and vision insurance, short-term and long-term disability, 401(k) with company match, and paid time off
      • Opportunities for professional growth and development in a dynamic and innovative environmentSystImmune is an Equal Opportunity Employer. We welcome diverse talent and encourage all qualified applicants to apply.
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Keywords: SystImmune Inc., Bellingham , Scientist, Research Associate - Small Molecule Design, Other , Redmond, Washington