• Associate Principal Scientist: Molecular…

    Merck (Boston, MA)
    **Job Description** **Associate Principal Scientist: Molecular Modeling , Analytical Research & Development** Our Scientists are our Inventors. We deliver robust ... including critical IT collaborators. **Primary Responsibilities** + Expert execution of atomistic molecular modeling and molecular dynamics simulations +… more
    Merck (06/07/25)
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  • Senior Scientist I Computational Chemistry

    AbbVie (Worcester, MA)
    …overall vision of advancing first-in-class and best-in-class clinical candidates. Computational chemists focus on developing hierarchical modeling approaches, ... including physics-based atomistic modeling , encompassing Molecular Dynamics (MD) and Quantum Mechanics (QM), Machine learning...PhD with 8+ (BS), 5+ (MS), and 0-3 ( PhD ) years of experience in computational chemistry,… more
    AbbVie (06/21/25)
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  • Principal Scientist, Computational…

    J&J Family of Companies (Cambridge, MA)
    …in leading journals with a focus on simulating neural drug effects using computational modeling approaches + Exceptional problem-solving skills with the ability ... alongside a team that interfaces with diverse domains, including molecular , digital, and imaging biomarkers. The candidate will be...to work across levels of analysis, spanning biophysical computational modeling at the cellular level to… more
    J&J Family of Companies (06/24/25)
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  • Principal Scientist, Peptide Computational…

    Merck (Boston, MA)
    …opportunities for impact now and in the future + Expertise in general molecular modeling techniques (docking, molecular simulation, homology modeling ... techniques as a member of discovery teams + Advancing our peptide modeling capabilities through invention of novel computational methodologies as necessary to… more
    Merck (05/21/25)
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  • Sr. Scientist, Computational Chemistry

    Takeda Pharmaceuticals (Boston, MA)
    … computational tools and methodologies including docking, virtual screening, molecular dynamics, free energy perturbation, homology modeling , quantum ... in computational chemistry/AI **EDUCATION, BEHAVIOURAL COMPETENCIES AND SKILLS:** + PhD degree in a relevant scientific discipline + 2+ years of Industry… more
    Takeda Pharmaceuticals (06/11/25)
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  • Senior Scientist, Computational Protein…

    AbbVie (Worcester, MA)
    …and self-motivated data scientist with a passion for leveraging AI/ML in computational protein design? Join AbbVie's Discovery Biotherapeutics team as a Senior ... In this pivotal role, you will utilize your expertise in AI/ML and computational protein design to drive the development of cutting-edge biotherapeutics. You'll have… more
    AbbVie (06/11/25)
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  • Advisor - Fragment-based Computational…

    Lilly (Boston, MA)
    …technologies to improve hit finding, mechanism of action exploration, and molecular design. Through agile, hypothesis-driven research, we turn high-potential ideas ... **Position Summary** Lilly Small Molecule Discovery is seeking a ** Computational Scientist** to join our **Novel** **Platforms** **Fragment-based Discovery** team.… more
    Lilly (06/23/25)
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  • Principal Scientist (AI/ML) - Predictive…

    Bristol Myers Squibb (Cambridge, MA)
    …for biologics discovery and design. This role is an integral part of our ** Computational Design and Predictive Modeling team** , which sits at the interface ... data and antibody repertoires to develop innovative, accurate , and scalable computational solutions that guide molecular design and optimization efforts. You… more
    Bristol Myers Squibb (06/26/25)
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  • Assoc Dir , Representation Learning, Data Science

    Merck (Cambridge, MA)
    …familiarity with ML frameworks (eg, TensorFlow, PyTorch). + Strong understanding of molecular modeling software and tools (eg, RDKit, OpenMM, AlphaFold, ... a focus on developing and applying advanced methods for molecular and protein design. This role will involve creating...with cloud computing platforms (eg, AWS, Google Cloud) for computational modeling and data analysis. + Familiarity… more
    Merck (06/25/25)
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  • Head of AI/ML Research

    Takeda Pharmaceuticals (Boston, MA)
    …of disease biology. The ideal candidate will have a strong background in computational biology, machine learning, and structural modeling , combined with proven ... with 23+ years experience + 10+ years of research experience in AI/ML, computational drug design, structural modeling , or related disciplines within the… more
    Takeda Pharmaceuticals (06/15/25)
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