Jobs and Careers
MS

Principal Scientist, Computational Chemistry

MSD
South San Francisco, United StatesRemotefull_timeVerifiedPosted 12 Aug 2025
💰 $364,200/yr($231,400/yr$364,200/yr)

About the role

Job Description

Our Research & Development Division in South San Francisco, a wholly owned subsidiary of our Company, is focused on driving discovery research. Our new multi-disciplinary discovery research site offers state-of- the-art resources to explore the most promising science combined with our Company’s world-class R&D expertise in small molecules and biologics. Located within the heart of the Bay area’s biomedical community, research conducted in our new laboratories spans exploratory biology through early clinical development and is an integral part of our Company’s powerful world-class network of drug and vaccine discovery.

At our Company, we are inspired by the belief that a research-driven enterprise dedicated to scientific excellence can create medicines and vaccines that save and improve lives. Every employee is building on our proud legacy of scientific breakthrough. Our ability to impact the lives of patients worldwide depends on the integrity, creativity, humility and scientific acumen of our team. We are creating a diverse organization that is inspired by invention and founded on a culture of respect and collaboration. At our Company, you’ll have the opportunity to expand your knowledge and skills through collaboration with talented and dedicated colleagues while advancing your career.

Our Company is currently seeking a highly motivated and exceptional scientist in the Chemistry Modeling & Informatics group at our South San Francisco, CA site. The successful candidate will be responsible for the design and optimization of novel drug candidates using advanced computational techniques, taking on roles of responsibility within portfolio programs, and scientific talent development.

Key responsibilities:

  • Collaborating with interdisciplinary discovery teams to invent new medicines, define project strategy, and drive successful execution

  • Championing a “design first” strategy across our Company's Discovery Chemistry

  • Applying a variety of informatics and modeling techniques, including AI/ML methods, to analyze drug discovery datasets and accelerate the evolution of leads to drug candidates.

  • Continuing research in areas of molecular modeling relevant to drug discovery and maintaining an external scientific presence through authoring significant scientific publications and presentations.

  • Scientific collaboration across the global group and contributing to a diverse and inclusive community.

  • Mentoring of computational chemists with supervisory responsibility.

Position Qualifications:

Education:

  • Bachelor's (with 14+ years), Master's (with 10+ years) or Ph.D. (with 8+ years) in biophysics, biochemistry, chemistry, engineering, computational chemistry or related field and relevant experience

Required Experience and Skills:

  • Experience with computational approaches to lead identification and lead optimization of small molecules as potential drugs, including experience using computation to solve ADME/PK issues

  • Experience performing quantum chemistry calculations with tools such as Gaussian or ORCA

  • Experience with one or more of the following: MOE, Schrodinger, OpenEye

  • Programming experience with a language such as Python or C for scientific computing

  • Strong written and oral communication skills, with demonstrated ability to work well in multidisciplinary teams

  • Multiple publications and external presentations demonstrating creative application of computational chemistry approaches to problems of biological interest

#EligibleforERP 

Current Employees apply HERE

Current Contingent Workers apply HERE

US and Puerto Rico Residents Only:

Our company is committed to inclusion, ensuring that candidates can engage in a hiring process that exhibits their true capabilities. Please click here if you need an accommodation during the application or hiring process.

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

Apply for this role

Generate a tailored application kit with a matched cover letter, interview prep, and CV highlights — in under 60 seconds.

Apply Now →Generate Application Kit

Free account required — sign up in 30s

Company

MSD

View company profile →