• Merck & Co. (Boston, MA)
    …Sciences, Business Intelligence (BI), Business Strategies, Chemometrics, Clinical Trials, Computational Biology, Database Design, Data Engineering, Data Modeling ... generative models for scientific applications using GNNs or Transformers.Design computational frameworks to enhance predictivity and augment decisions for complex… more
    HireLifeScience (12/13/25)
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  • Novartis Group Companies (Cambridge, MA)
    …future of drug discovery at Novartis. What you will bring to the role: PhD in data science, machine learning, computational chemistry, engineering or related ... Experience in computer-aided drug design, eg structure/ligand-based drug design, molecular dynamics, virtual screening, pharmacophore modeling Experience working… more
    CollegeRecruiter (12/13/25)
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  • Schrdinger (Cambridge, MA)
    …team, you'll train and guide customers in their use of our groundbreaking molecular modeling suites and address challenging problems in drug discovery. **Who ... Publish scientific papers and present at conferences **What you should have:** + PhD in computational chemistry, cheminformatics, computational biology, or a… more
    DirectEmployers Association (12/09/25)
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  • Computational Chemist Lead

    Astellas Pharma (Cambridge, MA)
    …molecules, proteins, bifunctional degraders, and biologics. **Essential Job Responsibilities:** + Computational Drug Design: Apply molecular modeling , ... ** Computational Chemist Lead** Do you want to be...this knowledge to enhance research strategies. **Technical Expertise:** + Molecular Modeling & Simulation: Proficient in structure-based… more
    Astellas Pharma (10/11/25)
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  • Associate Director, Computational Chemistry

    Takeda Pharmaceuticals (Boston, MA)
    computational tools and methodologies including docking, virtual screening, molecular dynamics, free energy perturbation, homology modeling , quantum ... patients worldwide. **_Objective / Purpose:_** + As a Senior Computational Chemistry Leader, you will work as part of...is strongly preferred. **EDUCATION, BEHAVIORAL COMPETENCIES AND SKILLS:** + PhD degree in a scientific discipline with 7+ years… more
    Takeda Pharmaceuticals (11/05/25)
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  • Principal Scientist, Computational

    Frontier Medicines (Boston, MA)
    …a highly motivated individual to fill the position of Principal Scientist, Computational Chemistry. The successful candidate will play a leading role in developing ... functions and departments, and regular interactions with senior leaders. As the senior computational chemist, there is furthermore an opportunity to build out the … more
    Frontier Medicines (11/04/25)
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  • Senior Scientist, Computational Imaging…

    Dana-Farber Cancer Institute (Boston, MA)
    …in biological or clinical imaging contexts. + Strong understanding of **statistical modeling ** and computational methods for large datasets. + Experience working ... and explain complex analyses to multidisciplinary teams. + Advanced degree ( PhD ) in **bioinformatics, computational biology, data science, biostatistics, or… more
    Dana-Farber Cancer Institute (11/20/25)
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  • Principal Scientist, Protein Optimization

    J&J Family of Companies (Cambridge, MA)
    …developability and other critical attributes using display technologies, structure and modeling -based design and other emerging computational or AI/ML methods. ... and sequence modeling using AI/ML methods to facilitate collaboration with computational and AI/ML functional teams + Expertise in protein structure modeling more
    J&J Family of Companies (12/10/25)
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  • HMS - Postdoctoral Fellow in BCMP, Blacklow Lab

    Harvard University (Cambridge, MA)
    …of transmembrane signal transduction. Collaboration with team members specializing in molecular biology, computational modeling , and cell biology ... School Harvard Medical School Department/Area Department of Biological Chemistry and Molecular Pharmacology Position Description The Blacklow lab at Harvard Medical… more
    Harvard University (11/08/25)
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  • Director, Principal Machine Learning Scientist

    Bayer (Cambridge, MA)
    …small-molecule hit generation, hit-to-lead, and/or lead optimization; + Familiarity with molecular modeling and design software (eg, Maestro, LiveDesign, MOE, ... possesses the following: **Required Qualifications:** + Ph.D. degree in Computational Chemistry/Biology, Chem/Bioinformatics, Chemical/Biological/ Molecular Engineering, or a… more
    Bayer (12/10/25)
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