Associate Principal Scientist, Molecular Modeling

Job Overview

We are seeking a motivated Associate Principal Scientist to join our Digital Insights team within the Development Sciences and Clinical Supply (DSCS) Digital Technologies organization. In this role, the successful candidate will leverage expertise in atomistic modeling of drug substance and drug formulations to support the company’s pipeline of antibodies, small molecules, peptides, biologics, conjugates, and vaccines.

• 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 an initial emphasis on biologics.
• Application and generation of data analysis and visualization workflows.
• Input on development of dashboards, reports, and data exports.
• Influence definition of digital strategy.
• 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 with direct pipeline impact.
• Demonstrate excellent interpersonal, communication, and collaboration skills.
• Demonstrate a clear ability to perform impactful scientific innovation in a team‑oriented manner that builds trusted partnerships across broad stakeholder networks.
• Have a demonstrated ability to publish and present research, including an established track record of interaction with the broader academic community.

Education Minimum Requirements

• Ph.D. 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.
• M.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely‑related field with at least 6 years of relevant experience.
• B.S. in Computational Chemistry, Chemistry, Biochemistry, Engineering, Data Science, Mathematics, Physics, Biology, Pharmaceutical Sciences, or a closely‑related field with at least 8 years of relevant experience.

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, Alpha Fold, 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 communication 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.

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics. As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities.

For more information about personal rights under the U.S. Equal Opportunity Employment laws, visit: EEOC Know Your Rights, EEOC GINA Supplement. We are proud to be a company that embraces the value of bringing together talented and committed people with diverse experiences, perspectives, skills, and backgrounds. The fastest way to break through innovation is when people with diverse ideas, broad experiences, and skills come together in an inclusive environment.