• Senior Scientific Director, Computational

    Takeda Pharmaceuticals (Boston, MA)
    …selection * Extensive knowledge of computational chemistry tools, including docking, molecular dynamics, FEP, QSAR modeling , and generative AI * Strong ... discovery, state-of-the-art commercial and open-source software tools/methods + Mentor junior computational chemists on molecular design best practices + Open… more
    Takeda Pharmaceuticals (08/02/25)
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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 (07/16/25)
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  • Head, Machine Learning and Computational

    Pfizer (Cambridge, MA)
    …Chemistry / Cheminformatics + Computational Biology / Bioinformatics + Molecular /Cell Biology, Biochemistry, and Genetics + Macromolecular modeling and ... and Execution, Strategy) and new R&D AI Portfolio Strategy Team **QUALIFICATIONS** + PhD or advanced degree in Computational Chemistry, Computational more
    Pfizer (08/02/25)
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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 (07/24/25)
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  • Director, Computational & Systems Biology…

    Takeda Pharmaceuticals (Boston, MA)
    …patients worldwide. We have an exciting opportunity for a Director of Computational and Systems Biology to join our multi-disciplinary Early Clinical Development ... Disease (IBD). The role will contribute to biomarker discovery, molecular differentiation, patient stratification, and data-driven decision-making across early- to… more
    Takeda Pharmaceuticals (07/04/25)
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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 (05/16/25)
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  • Principal Scientist, Translational…

    Bristol Myers Squibb (Cambridge, MA)
    …Read more: careers.bms.com/working-with-us . We seek a creative and passionate computational scientist with a background in addressing translational questions to ... + Or Master's Degree 6+ years of academic / industry experience + Or PhD 4+ years of academic / industry experience **Preferred Qualifications:** + Ph.D. in… more
    Bristol Myers Squibb (08/09/25)
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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 (08/12/25)
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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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  • Software Engineer 2

    Pacific Northwest National Laboratory (Boston, MA)
    …biological and environmental processes across temporal and spatial scales. Through computational analysis and modeling , these findings contribute to predictive ... directorates include National Security, Earth and Biological Sciences, Physical and Computational Sciences, and Energy and Environment. In addition, we have an… more
    Pacific Northwest National Laboratory (08/08/25)
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