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Requisition ID:  7690

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

Job Summary

*Updated, March 20, 2020*: All interview and hiring processes will be postponed until later specified. At this time, we are still accepting applications.

The 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 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.  

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

  • Master’s Degree in Computational Chemistry, Computer Science or related field
  • Two (2) years of industry experience 
  • 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 
  • Basic skills in communication, word processing, data entry, and data analysis
  • Familiarity with Microsoft Office software (e.g. Word, Excel, Powerpoint, etc.)


  • Ph.D. Degree
  • Experience in designing blood-brain-barrier penetrating compounds 

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