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Date: Fri Aug 2 10:30:20 2019
Subject: 19.07.26 Postdoctoral Position - Computational Chemist/Cheminformatics Scientist, NIH/NCATS, Rockville, MD, USA

Postdoctoral Position - Computational Chemist/Cheminformatics Scientist, NIH/NCATS, Rockville, MD, USA

The NCATS Informatics group within the Division of Pre-Clinical Innovation (DPI) seeks a self-motivated, collaborative research associate to join its mission in studying therapeutic translation on a system-wide level as both a scientific and operational problem. The NCATS DPI focuses on early stages of the translational process, spanning in range from initial target validation to first-in-human clinical studies. The NCATS Informatics group plays a key role in the operation of multiple screening platforms (small molecules, RNAi, ADME, drug combinations) and large-scale infrastructure. Informatics scientists are committed to research and development in all areas of molecular informatics. The group provides an intellectually stimulating environment and is interested in a diverse range of informatics topics that vary in scale from small molecules to phenotypes and other high-level biomedical datatypes.

High-throughput screening technology directly depends on the informatics teams computational infrastructure to convert measured responses from millions of microtiter plate wells to dose-response curves, enabling the identification of active and inactive compounds. Given that a screen can generate results for more than 400,000 compounds, the candidate is expected to provide day-to-day support of data processing and analysis from high- and low-throughput screens: hit identification, cherry-picking of compounds for follow-up studies, identify top chemical series for lead optimization.

The candidate is also expected to collaborate with chemists on probe optimization by integrating modeling results into project plans, using ligand-based or structure-based modeling approaches.

We are seeking a highly motivated and creative postdoctoral fellow with expertise in computational chemistry. The successful candidate will have broad knowledge and experience in applying computational chemistry techniques to solve complex scientific problems. A solid understanding of structure-based and ligand-based drug design is required. The successful candidate will be expected to make impactful individual contributions to drug discovery projects.


  • Ph.D. in Computational Chemistry, Biology or Informatics or a related discipline.
  • Candidates must be eligible to work within the United States
  • Research experience in one or more of the following areas is essential: bioinformatics, cheminformatics, structure-based design, ligand-based design, homology modeling, pharmacophore modeling, QSAR, 3D database mining, lead identification and optimization.
  • Familiarity with modeling software, such as Discovery Studio, Openeyes, MOE, AutoDock, or Pipeline Pilot within a UNIX/Linux environment is required
  • Informatics and software engineering knowledge preferred
  • Some scripting and/or computer programming experience is a plus
  • Good oral and written communication skills and the ability to communicate with medicinal chemistry, informatics, bioinformatics and software developers are a must

Interested individuals should submit their curriculum vitae to NCATSTDBBioHiring ~~

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Modified: Fri Aug 2 14:30:21 2019 GMT
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