Senior Scientist, Molecular Modeling & Predictive Science

Merck & Co.; West Point (PA); Hybrid; USD 117,000 - 184,000; Full time

Benefits offered by this job

Medical Insurance

Dental Insurance

Vision Insurance

401(k) Plan

Paid Holidays and Vacation

Job summary

Merck & Co., a global biopharmaceutical leader, seeks a Senior Scientist to join the DSCS Digital Technologies team. You will apply atomistic modeling and MD simulations to antibodies, biologics, and vaccines, collaborating across process, formulation, and analytical groups to drive predictive science solutions.

The role emphasizes independent and proactive work that strengthens partnerships, with opportunities to publish and present research within a broad scientific network.

Qualifications

• Expertise in atomistic modeling with antibodies and other modalities such as small molecules, peptides, biologics, conjugates, and vaccines.
• Experience executing molecular dynamics simulations of multi-component systems.
• Experience across modeling platforms (Rosetta, Gromacs, Amber, Schrodinger, MOE, Gaussian, AlphaFold).
• Proficiency in R and/or Python; familiarity with Posit/RStudio/Jupyter.
• Experience with data visualization tools (e.g., Shiny, Tableau, PowerBI, Dash, Streamlit).
• Strong verbal and written communication; ability to work independently and collaboratively.

Responsibilities

• Lead expert execution of atomistic modeling and MD simulations.
• Apply predictive approaches to scientific problems across characterization techniques.
• Develop data science workflows to address pipeline challenges, with emphasis on biologics.
• Create data analysis, visualization, and dashboard workflows.
• Collaborate with stakeholders to gather requirements for digital/data solutions with pipeline impact.
• Lead projects with scope, milestones, and cross-functional alignment.

Skills

Atomistic modeling

Molecular dynamics

Computational platforms

Programming: R/Python

Data visualization tools

Communication

Independent work

Education

Ph.D. in Computational Chemistry or closely related field

M.S. in Computational Chemistry or closely related field with ≥2 years

B.S. in Computational Chemistry or closely related field with ≥4 years

Tools

Rosetta

Gromacs

Amber

Schrodinger

MOE

Gaussian

AlphaFold

Job description

Merck & Co., a global biopharmaceutical leader, seeks a Senior Scientist to join the DSCS Digital Technologies team. You will apply atomistic modeling and MD simulations to antibodies, biologics, and vaccines, collaborating across process, formulation, and analytical groups to drive predictive science solutions.

The role emphasizes independent and proactive work that strengthens partnerships, with opportunities to publish and present research within a broad scientific network.