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Requisition ID:  7691

Senior Scientist - Drug Design Computational Modeling - Center for Alzheimer's Disease Drug Discover

Job Summary

*Updated, September 2020*: This position is actively recruiting and accepting application 

The Senior Scientist - Drug Design Computational Modeling for the Alzheimer’s Disease Drug Discovery Center (ADDD Center) within the Purdue University Institute for Drug Discovery will be responsible for the identification of small molecule modulators utilizing computer-aided drug design.  The computational modeler will work closely with members of the other technical research cores to analyze crystal and cryo-EM structures to identify druggable binding sites and then perform in silico screening (e.g. structure-based, similarity-based, etc.) to identify potential small molecule modulators.  Additionally, this position will utilize structure-based design to guide the optimization of hit- and lead-compound series from targets co-crystallized with small molecule binders.  The Senior Scientist will assist with the day-to-day oversight of one other computational modeler, but will not have direct reports.

This position will be supported for the duration of the five-year contract of the ADDD Center.


  • Ph.D. in Computational Chemistry, Computer Science or related field
  • Two (2) years of experience beyond post-doc in computer-aided drug design
  •  Expert in drug design modeling software, preferably Schrodinger suite
  • Experience in performing large scale virtual screening
  • Experience optimizing compound series via structure-based drug design
  • Experience working with medicinal chemistry teams to identify and optimize lead compounds for animal and clinical testing
  • Ability to carry-out computational experiments in an independent manner with little supervision
  • Advanced skills in communication, word processing, and data presentation/visualization
  • Familiarity with Microsoft Office software (e.g. Word, Excel, Powerpoint, etc.)


  • Experience beyond post-doc in computer-aided drug design preferably in an industrial setting 
  • Experience in designing blood-brain-barrier penetrating 
  • Experience overseeing junior personnel 

Additional Information:

  • Purdue will not sponsor employment authorization for this position
  • A background check will be required for employment in this position.
  • FLSA: Exempt (Not Eligible For Overtime).
  • Retirement Eligibility: Defined Contribution Waiting Period.
  • Purdue University is an EOE/AA employer.  All individuals including minorities, women, individuals with disabilities and veterans are encouraged to apply