Principal Scientist, Peptide Computational Chemistry at Merck Rahway, NJ

Principal Scientist, Peptide Computational Chemistry

Merck. Rahway, NJ. We are seeking a creative, self‑motivated computational chemist with exceptional interpersonal and problem‑solving skills to join our Modeling and Informatics (M&I) team. As part of the Discovery Chemistry family, M&I employs state‑of‑the‑art predictive sciences, AI/ML and structure‑based drug design to accelerate our invention of transformative therapeutics for patients. We are expanding our capabilities in peptide computational chemistry to support our ambitious strategy for next‑generation therapeutic discovery.

The role will lead our peptide modeling capability and will influence our discovery organization from target identification through delivery of clinical candidates across a fast‑growing peptide portfolio.

• Design and optimization of peptide drug candidates using advanced computational techniques as a member of discovery teams
• Advance peptide modeling capabilities through invention of novel computational methodologies to drive impact
• Coordinate with adjacent functional teams (e.g., Research IT, Informatics) to implement new methods and workflows, including physics‑based and AI/ML approaches
• Act as a subject‑matter champion for ligand‑ and structure‑based drug design across the discovery network

• Trusted partner for Discovery Chemistry and adjacent functions for peptide expertise
• Build fruitful collaborations with stakeholders across medicinal chemistry, pharmacokinetics & pharmacodynamics, quantitative biosciences, and therapeutic area biology
• Contribute to the scientific growth and development of both M&I and Chemistry colleagues as a mentor and influencer both locally and across the network
• Enhance the company’s peptide reputation through conferences, publications, and external expert relationships

• Lead strategic initiatives to enable the future vision for computational chemistry in drug discovery, focusing on peptides
• Enable a design‑driven and predict‑first culture throughout our Chemistry
• Contribute to the overarching drug discovery strategy

Education Minimum Requirement:

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

Required

Experience and Skills:

• For Ph.D. holders: 8 years of relevant professional experience beyond graduation (e.g., Pharma, Biotech); for M.S. holders: 11 years.
• Exceptional oral and written communication skills; influence team decisions in drug discovery.
• Collaborate and deliver results in a fast‑paced global environment; manage multiple priorities.
• See the big picture and identify opportunities for impact now and in the future.
• Expertise in molecular modeling techniques (docking, simulation, homology modeling, QM, QSAR/ML, ligand‑ and structure‑based design) with modern software (e.g., Schrodinger, Open Eye, CCG).
• Lead strategic scientific initiatives relevant to drug discovery.
• Scientific programming (Python, Pipeline Pilot) and data analytics (Spotfire); democratize coding and workflows.
• Passionate mentor and coach for scientific peers.

Preferred

Experience and Skills:

• People management potential, tailored to the right candidate’s development pathway.

Effective September 5, 2023: employees in office‑based U.S. positions will work a hybrid schedule of three total days on‑site per week, Monday‑Thursday, with Friday remote, unless business critical tasks require on‑site presence. The model does not apply to field‑based, facility‑based, manufacturing‑based, or research‑based positions, union positions, or roles for which remote work is not feasible. Remote positions are exempt from this guidance.

Salary range: $ – $. Eligibility for annual bonus and long‑term incentive, if applicable. Benefits include medical, dental, vision, insurance, retirement (401(k)), paid holidays, vacation, and compassionate/sick days.

Merck is an equal‑employment‑opportunity employer for employees and applicants nationwide. We prohibit discrimination on the basis of race, color, age, religion, sex, sexual…