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Senior Advisor, Computational Chemistry and Cheminformatics (R6)

  2025-09-13     Eli Lilly and Company     San Diego,CA  
Description:

Eli Lilly and Company seeks a Senior Advisor, Computational Chemistry and Cheminformatics (R6) to utilize computational methods to drive drug discovery programs. Generate computational models to help direct drug design strategies, idea generation, and prioritization. Use advanced computational techniques to study protein motions and interactions to understand the binding of small molecules with drug targets to enable the structural design of improved new molecules. Develop and implement physics-based free energy methods to enable drug discovery project teams to identify small molecule designs with desirable binding and/or functional properties. Collaborate with multidisciplinary teams providing computational expertise to advance drug discovery projects. Perform large-scale data extraction, manipulation, and merging of multiple data sets for statistical analysis and scoring to understand structure activity relationships. LI-DNI Position requires a Ph.D. in Computational Chemistry or a related field and 3 years of experience with using computational techniques in small molecule structure-based design. Experience must include a minimum of: 3 years of experience using computational free energy methods and enhanced sampling simulations techniques to provide novel protein conformational insights to help guide drug design efforts; 3 years of experience using quantum mechanics and molecular dynamics platforms for hypothesis creation; 3 years of experience successfully scripting in python and bash environments; and 2 years of experience with ligand conformational analysis, structure searches, docking, homology modeling, bioinformatics tools, machine learning, and advanced data analytics methods to guide drug discovery research. Up to 10% domestic and international travel required. LI-DNI Job location: San Diego, CA. RATE OF PAY: $148,500.00 - $247,500.00 per year. To apply, please visit and enter job requisition number R-91512 when prompted. Alternatively, please send your resume, cover letter, and a copy of the ad to: Matthew Tenaglio, Lilly Corporate Center, Indianapolis, IN 46285.


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