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Senior Scientist, Computational Chemistry


Rahway, NJ
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Job Details

Job Title: Senior Scientist, Computational Chemistry  - CHE005383

Merck & Co., Inc. Kenilworth, N.J., U.S.A. known as Merck in the United States and Canada, is a global health care leader with a diversified portfolio of prescription medicines, vaccines and animal health products. The difference between potential and achievement lies in the spark that fuels innovation and inventiveness; this is the space where Merck has codified its 125-year legacy. Merck’s success is backed by ethical integrity, forward momentum, and an inspiring mission to achieve new milestones in global healthcare.
Merck is on a quest for cures and is committed to being the world’s premier, most research-intensive biopharmaceutical company. Today, we’re doubling down on this goal. Merck Research Laboratories is a true scientific research facility of tomorrow, and will take Merck’s leading discovery capabilities and world-class small molecule and biologics R&D expertise to create breakthrough science that radically changes the way we approach serious diseases.

Merck is seeking a creative, self-motivated computational chemist with exceptional interpersonal and problem solving skills to join the Modeling and Informatics group in Rahway, NJ. The successful candidate will be primarily supporting programs in collaboration with Process Research and Development.


Key responsibilities:

  • Application and creation of informatics and modeling tools to accelerate the evolution of high functioning biocatalysts obtained through directed evolution and other means
  • Contribute to the optimization of synthetic routes using advanced computational techniques including density functional theory and machine learning
  • Advance research in molecular modeling to enhance drug discovery and development processes



  • Ph.D. (or expected by 2017) in chemistry, biochemistry, biophysics, or equivalent with a computational emphasis


  • Drug discovery/ development experience in industry
  • Strong communication skills
  • The ability to work well in multidisciplinary teams
  • Evidence of creative application of computational approaches to problems of pharmaceutical interest


  • Excellent track record of publications, posters, and speaking engagements
  • Prior experience in the pharmaceutical/biotechnology industry
  • Experience in the application of protein design software (Rosetta, BioLuminate, etc.) for directed evolution of enzymes and in the application of sequence based bioinformatics tools
  • Experience in the application of quantum mechanics (density functional theory, Gaussian, Jaguar, etc.) for reaction mechanism elucidation of organic reactions and transition metal catalyzed reactions
  • Proficiency with modern molecular modeling techniques (docking, molecular simulation, homology modeling, QSAR, ligand- and structure-based design) with modern software packages (Schrodinger, OpenEye, CCG) a plus
  • Expertise in scientific programming (Perl, Python, Pipeline Pilot) and data analytics (e.g., Spotfire)


Your role at Merck is integral to helping the world meet new breakthroughs that affect generations to come, and we’re counting on your skills and inventiveness to help make meaningful contributions to global medical advancement. At Merck, we’re inventing for life. 
If you need an accommodation for the application process please email us at . 
Search Firm Representatives Please Read Carefully:  
Merck is not accepting unsolicited assistance from search firms for this employment opportunity. Please, no phone calls or emails.  All resumes submitted by search firms to any employee at Merck via email, the Internet or in any form and/or method without a valid written search agreement in place for this position will be deemed the sole property of Merck.  No fee will be paid in the event the candidate is hired by Merck as a result of the referral or through other means.
For more information about personal rights under Equal Employment Opportunity, visit:


Job Chemistry

Primary Location NA-US-NJ-Rahway

Other Locations NA-US-NJ-Kenilworth

Employee Status Regular

Number Of Openings 1

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