Eli Lilly and Company
healthcare
PostdoctoralScientist
“Postdoctoral Scientist at Eli Lilly and Company. Skills: synth(on)-Fragment–based Virtual Screening (SFBVS), AI, structure-based drug design, fragment chemistry, synthesis. Develop and apply synth(on)-fragment–based virtual screening methods for small-molecule hit discovery. Design fragment growth, linking, and merging strategies constrained by real-world synthetic feasibility”
Industry & Context.
This position is not permanent. It is for a fixed term position up to a maximum of 4 years.
What They're Looking For.
Must Have
PhD in Computational Chemistry, Computer Science, or a related field, background in CADD and structure-based drug design, Experience with fragment-based drug discovery concepts, Proficiency in Python, familiarity with cheminformatics tools (e. g. , RDKit), Proficiency in DL/ML methods for binding prediction or molecular design, Ability to work with large chemical libraries and computational workflows, Qualified applicants must be authorized to work in the United States on a full-time basis
Nice to Have
Experience with synth(on)- or reaction-based chemical libraries, Familiarity with synthetic accessibility scoring, retrosynthesis, or reaction rule systems, Experience collaborating with medicinal chemistry teams, collaboration and scientific communication skills
What You'll Do.
Develop and apply synth(on)-fragment–based virtual screening methods for small-molecule hit discovery
Design fragment growth
and merging strategies constrained by real-world synthetic feasibility
Integrate structure-based modeling (docking
ML/DL affinity prediction) with reaction-aware generative designs
Prioritize compounds that balance binding potential
and synthetic accessibility
Apply workflows to novel and challenging EMD targets
including difficult or underexplored pockets
How You'll Work.
Team & Collaboration
Collaborate closely with medicinal chemists, fragment scientists, and screening teams to enable rapid experimental validation; Work in a highly collaborative, multidisciplinary AI-driven environment
Communication Scope
scientific communication skills
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