Principal Scientist, Peptide Computational Chemistry at Merck Rahway, NJ

Principal Scientist, Peptide Computational Chemistry – Merck (Rahway, NJ)

Position

Description:

We are seeking a creative, self‑motivated computational chemist with exceptional interpersonal and problem‑solving skills to join the Modeling and Informatics (M&I) team within the Discovery Chemistry family. Your role will lead the expansion of peptide computational chemistry, focusing on macrocyclic peptides, and will involve cross‑functional collaboration across geographical and departmental boundaries.

• Design and optimize peptide drug candidates using advanced computational techniques.
• Advance peptide modeling capabilities through the invention of novel computational methodologies.
• Coordinate with adjacent functional teams (e.g., Research IT, Informatics) to implement new methods and workflows supporting peptide drug discovery.
• Serve as a subject‑matter champion for ligand‑ and structure‑based drug design across the discovery network.

• Act as a trusted partner for Discovery Chemistry and adjacent functions for peptides expertise.
• Build collaborations with stakeholders in medicinal chemistry, pharmacokinetics, pharmacodynamics, quantitative biosciences, and therapeutic area biology.
• Mentor and influence colleagues locally and across the network to foster scientific growth.
• Contribute to the reputation of Merck’s peptide capabilities through presentations at conferences and publications, and cultivate relationships with external experts.

• Lead strategic initiatives to advance computational chemistry approaches for drug discovery, emphasizing peptides.
• Promote a design‑driven, predict‑first culture throughout Merck’s chemistry organization.
• Contribute to the company’s overarching drug discovery strategy.

Education Minimum Requirement:

• Ph.D. or M.S. in chemistry, biochemistry, biophysics, or an equivalent field with a computational emphasis.

Required

Experience and Skills:

• For Ph.D. holders: 8+ years of relevant professional experience (Pharma, Biotech, or equivalent); for M.S. holders: 11+ years.
• Exceptional oral and written communication skills with demonstrated influence on drug discovery decisions.
• Capacity to collaborate and deliver results in a fast‑paced, global environment while managing multiple priorities.
• Ability to see the big picture and identify future impact opportunities.
• Expertise in general molecular modeling techniques (docking, simulation, homology modeling, quantum mechanics, QSAR/ML) using modern software (e.g., Schrodinger, Open Eye, CCG).
• Experience leading strategic scientific initiatives relevant to drug discovery.
• Proficiency in scientific programming (Python, Pipeline Pilot) and data analytics (Spotfire), and ability to democratize coding and workflows.
• Passion for mentoring and coaching scientific peers.

Preferred

Experience and Skills:

• People management experience is possible but not required.

Hybrid Work Model: Employees in office‑based positions are expected to work three days onsite per week (Monday‑Thursday, with Friday remote) unless business‑critical tasks dictate otherwise. Field‑ and research‑based positions require daily onsite attendance.

Salary Range: $ – $ (Annual).

Benefits: Comprehensive package including medical, dental, vision, retirement (401(k)), paid holidays, vacation, and compassionate and sick days.

Equal Employment Opportunity Statement: Merck is an equal‑opportunity employer and prohibits discrimination based on race, color, age, religion, sex, sexual orientation, gender identity, national origin, veteran status, disability status, or any other protected characteristic.