Associate Principal Scientist, Molecular Modeling
Merck
June 26, 2026
Remote friendly (Boston, MA)
United States
Clinical Research and Development
Associate Principal Scientist (Digital Insights, DSCS Digital Technologies)
Primary Responsibilities:
- Execute atomistic molecular modeling and molecular dynamics simulations.
- Apply predictive approaches to pharmaceutical characterization.
- Use data science workflows to solve pipeline challenges (initial emphasis on biologics).
- Create data analysis and visualization workflows; contribute to dashboards, reports, and data exports.
- Influence digital strategy; lead/manage projects (scope, stakeholder alignment, milestones, timelines).
- Partner with business stakeholders to gather requirements for new digital/data solutions; collaborate effectively and communicate clearly.
- Publish and present research.
Education (minimum):
- Ph.D. (or M.S./B.S.) in Computational Chemistry/Chemistry/Biochemistry/Engineering/Data Science/Math/Physics/Biology/Pharmaceutical Sciences (or closely related) with 4/6/8+ years relevant experience.
Required Experience & Skills:
- Atomistic modeling expertise (antibodies + at least one modality: small molecules, peptides, biologics, conjugates, vaccines).
- Molecular dynamics simulations of multi-component systems.
- Computational platforms (e.g., Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold).
- R and/or Python; Posit/RStudio/Jupyter.
- Data visualization tools (Shiny, Spotfire, Dash, PowerBI, Streamlit, Tableau).
- Strong verbal/written communication; independent + team collaboration.
Preferred Skills:
- Multi-scale/coarse-grained MD; Machine learning/GenAI; formulation design; chemical matter development; pharma industry impact; dashboard/report/export development.
Compensation/Benefits & Application:
- Salary range: $142,400.00–$224,100.00; eligible for annual bonus/long-term incentive if applicable; comprehensive benefits.
- Apply via https://jobs.merck.com/us/en (deadline stated on posting).
Primary Responsibilities:
- Execute atomistic molecular modeling and molecular dynamics simulations.
- Apply predictive approaches to pharmaceutical characterization.
- Use data science workflows to solve pipeline challenges (initial emphasis on biologics).
- Create data analysis and visualization workflows; contribute to dashboards, reports, and data exports.
- Influence digital strategy; lead/manage projects (scope, stakeholder alignment, milestones, timelines).
- Partner with business stakeholders to gather requirements for new digital/data solutions; collaborate effectively and communicate clearly.
- Publish and present research.
Education (minimum):
- Ph.D. (or M.S./B.S.) in Computational Chemistry/Chemistry/Biochemistry/Engineering/Data Science/Math/Physics/Biology/Pharmaceutical Sciences (or closely related) with 4/6/8+ years relevant experience.
Required Experience & Skills:
- Atomistic modeling expertise (antibodies + at least one modality: small molecules, peptides, biologics, conjugates, vaccines).
- Molecular dynamics simulations of multi-component systems.
- Computational platforms (e.g., Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold).
- R and/or Python; Posit/RStudio/Jupyter.
- Data visualization tools (Shiny, Spotfire, Dash, PowerBI, Streamlit, Tableau).
- Strong verbal/written communication; independent + team collaboration.
Preferred Skills:
- Multi-scale/coarse-grained MD; Machine learning/GenAI; formulation design; chemical matter development; pharma industry impact; dashboard/report/export development.
Compensation/Benefits & Application:
- Salary range: $142,400.00–$224,100.00; eligible for annual bonus/long-term incentive if applicable; comprehensive benefits.
- Apply via https://jobs.merck.com/us/en (deadline stated on posting).