• Computational Bio-Inorganic Interface…

    Battelle Memorial Institute (Columbus, OH)
    …components into functional microelectronic devices. + Stay current with advances in computational chemistry, molecular modeling , and biointerface science. + ... contributions to the field of bioelectronics. **Responsibilities** + Develop and apply molecular modeling and simulation techniques (eg, molecular dynamics,… more
    Battelle Memorial Institute (07/12/25)
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  • 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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  • Computational ADMET Group Lead

    Lilly (Indianapolis, IN)
    …novel scientific approaches. We are seeking an experienced leader for our cross-site computational ADME/Tox AI/ML modeling team. The candidate should have a ... areas and molecular creation teams (LGM, and BioTDR). + Use computational tools and techniques to research, develop and deliver computational solutions… more
    Lilly (08/10/25)
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  • Data Scientist, Computational Biology

    United Therapeutics (Silver Spring, MD)
    …over the what data sets are collectedThe Computational Lab for In Silico Molecular Biology applies computational modeling to enable in silico design and ... or related field of study OR 1+ years of professional experience with a PhD in in computational biology, applied mathematics, or related field of study… more
    United Therapeutics (08/10/25)
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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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  • Postdoctoral Appointee - Computational

    Argonne National Laboratory (Lemont, IL)
    …In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried out to study the heat transfer of the reaction ... the structures and to understand the complex mechanisms of molecular reactions occurring at the surface of various materials....(eg, the use of OpenFoam or ALDFoam) and microkinetic modeling is critical + Considerable computational expertise… more
    Argonne National Laboratory (05/31/25)
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  • Co-op - Computational Lab

    United Therapeutics (Silver Spring, MD)
    …for which transplant is not currently an option. **How you'll contribute** UT's computational systems biology lab in Silver Spring, MD is building an in-silico model ... will assist in the development and implementation of mathematical models of molecular and physiological processes that regulate lung diseases and drug response. This… more
    United Therapeutics (08/10/25)
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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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