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Agent guide: [/agents.md](https://www.wearedevelopers.com/agents.md). --- # Senior Scientist: Molecular Modeling within the Digital Insights Team - **Company:** Merck Sharp & Dohme LLC - **Location:** Boston, MA, United States - **Experience:** Expert - **Salary:** $117,000.0 - $184,200.0 - **Contract:** Permanent contract - **Skills:** Artificial Intelligence, Data Analysis, Computer Programming, Information Engineering, Data Systems, Data Visualization, Python (Programming Language), Machine Learning, Molecular Modeling, RStudio, Power BI, Tableau (Software), Jupyter, Gaussian, Information Technology, Spotfire, Streamlit Framework, Data Pipelines - **Published:** September 3, 2026 - **Apply:** https://www.bostonjobsite.com/job.asp?id=3375537297&tx=KR9191FFR&pt=1&aff=0B19D771-A501-4A5E-8338-2A822B784D54&utm_source=Job%20Feed&utm_medium=textkernel&utm_campaign=DE&utm_term=0B19D771-A501-4A5E-8338-2A822B784D54 ## About the Role We are seeking a motivated Senior Scientist to join our Digital Insights team within the Development Sciences and Clinical Supply (DSCS) Digital Technologies organization. The DSCS Digital Technologies organization is responsible for the invention and application of new digital tools/workflows to support scientists across drug substance development, drug product development and analytical development. Digital is the multiplier that will allow DSCS to deliver better experiments faster, efficient filing and launch, more robust supply chains and higher-confidence decisions across the portfolio. We aspire to embed digital technologies into the fabric of DSCS culture to drive transformational impact, by innovating solutions through strong partnership in the domains of Data Science, Data Analysis, Informatics, Multi-Omics, Predictive Science, and Data Engineering. The tools that we develop are as the teams developing them, and in this Senior Scientist role, the successful candidate will leverage their expertise in atomistic modeling of drug substance and drug formulations with an ability to apply predictive sciences to support our Company pipeline of antibodies, small molecules, peptides, biologics, conjugates, and vaccines. This role will allow the candidate to solve complex scientific challenges through application of data modeling, analysis, and visualization tools. Initial focus will be related to modeling of antibodies and small molecule drug formulations. The successful candidate is expected to collaboratively work with process, formulation, computational, and analytical scientists, understand their problem statements, and collaboratively implement and apply predictive science solutions. The candidate must be able to work proactively and independently and influence decisions and solutions of problem statements across our Company Research Laboratories. The role will require the candidate to network across a range of departments and effectively collaborate with stakeholders. The candidate should exemplify positive ways of working which support, inclusion, and a positive culture., * Demonstrate a clear ability to perform impactful scientific innovation in a team-oriented manner that builds trusted partnerships across vast stakeholder networks * Have a demonstrated ability to publish and present research, including an established track record of interaction with the broader academic community * Undefined, * A Ph.D. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field. * A M.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 2 years of relevant experience. * A B.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely-related field with at least 4 years of relevant experience. * Undefined Required Experience and Skills: * Expertise in atomistic modeling (direct experience with antibodies and at least one other modality: small molecules, peptides, biologics, conjugates, and vaccines). * Expertise in executing molecular dynamics simulations of multi-component systems. * Expertise across multiple computational modeling platforms such as: Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold, etc. * Familiar with programming in R and/or Python and Posit/RStudio/Jupyter * Experience with one or more data visualization tools (Shiny, Spotfire, Dash, PowerBI, Streamlit, or Tableau). * Excellent verbal and written communications skills. * Work independently and be able to collaborate as a team. Preferred Experience and Skills: * Multi-scale modeling including coarse grained molecular dynamics. * Familiarity with Machine learning/Gen AI. * Experience with pharmaceutical drug product development involving formulation design. * Knowledge of development of chemical matter across one or more modalities. * Track record of impact in the pharmaceutical industry with relevant examples directed towards pipeline objectives. * Development of dashboards, reports, and data exports., Academic Research, Academic Research, Adaptability, Analytical Chemistry, Biology, Bioprocessing, Business Development, Chemistry, Computational Chemistry, Cross-Functional Teamwork, Data Analysis, Drug Delivery Technology, Drug Development, Flow Cytometry, High-Throughput Screening, Independent Thinking, Innovative Thinking, Interpersonal Relationships, Molecular Biology Techniques, Molecular Dynamics (MD), Molecular Modeling, Multi-Color Flow Cytometry, People Management, Pharmaceutical Sciences, Preformulation {+ 9 more} ## Description * Expert execution of atomistic molecular modeling and molecular dynamics simulations. * Application of predictive approaches to address scientific problems across pharmaceutical characterization techniques. * Application of data science workflows to address pipeline challenges across all modalities with initial emphasis on biologics. * Application and generation of data analysis, and visualization workflows. * Input on development of dashboards, reports, and data exports. * Lead and manage projects, including scope definition, stakeholder alignment, milestone tracking, and delivery against project timelines * Build strong partnerships with business stakeholders to gather requirements for new digital and data solutions which will have direct pipeline impact. * Demonstrate excellent interpersonal, communication, and collaboration skills ## Related Videos - [Industrializing your Data Science capabilities](https://www.wearedevelopers.com/videos/178-industrializing-your-data-science-capabilities) - [Kubernetes dev is fun, but setup and ops isn't! 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