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Post Doctoral Fellow - RAS Initiative - Computational Ligand (Drug) Discovery (req1879)

Company: Frederick National Laboratory
Location: Frederick
Posted on: July 17, 2021

Job Description:


Postdoctoral Fellow will:

  • Work closely with a highly collaborative multidisciplinary team of chemists, biochemists, biophysicists, and cell and structural biologists at the NCI RAS Initiative to develop and optimize small molecules for use as RAS inhibitors
  • Work as a member of the RAS Computational Chemistry team
  • Work will focus on elucidating RAS-RAS interfaces, identifying pockets at these interfaces, performing computational ligand discovery (screening large virtual databases of hundreds of millions of small molecules using docking software) at these interfaces
  • Optimize hits using computational methods including Chemical informatics methods and Free-Energy calculations
  • Preforming experimental assays to test hits in the wet lab (or working closely with an experimental collaborator)
  • Present research findings within the group and at national meetings and publish findings in peer reviewed journals


To be considered for this position, you must minimally meet the knowledge, skills, and abilities listed below:
  • Possession of a PhD degree from an accredited college or university according to the Council for Higher Education Accreditation (CHEA) in computational chemistry or related field. Foreign degrees must be evaluated for U.S. equivalency
  • No work experience required with a Doctorate degree
  • Ability to obtain and maintain a security clearance


Candidates with these desired skills will be given preferential consideration:
  • Expertise in structure-based drug design methods, e.g. virtual screening, molecular docking, molecular dynamics simulations, free energy calculations, and/or cheminformatics methods
  • Expertise in molecular modelling, docking, and/or Molecular Dynamics software, e.g. UCSF DOCK, Autodock, Schrodinger package, Amber, NAMD
  • Knowledge of scripting and computer languages, e.g. Python, Unix shell, R, C++, Fortran.
  • Experience of working with RAS/small GTPases
  • Knowledge of membrane, and experience with preforming simulations of membranes
  • Knowledge of biochemical and biophysical techniques (SPR, ITC, LC-MS etc.) to characterize protein-small molecule binding interactions
  • Good written and oral communications skills
  • Must be collaborative, self-motivated, and able to work effectively as part of a multidisciplinary team

Keywords: Frederick National Laboratory, Frederick , Post Doctoral Fellow - RAS Initiative - Computational Ligand (Drug) Discovery (req1879), Other , Frederick, Maryland

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