Denise Pohlhaus

Denise Pohlhaus

Investigator at GlaxoSmithKline

Raleigh-Durham, North Carolina Area

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Denise Pohlhaus's Overview


437 connections

Denise Pohlhaus' Summary

I am interested in using various computational methods for drug discovery and development. My bread and butter is the use of crystallography and docking techniques in compound design. I often find simple QM calculations can be helpful in evaluating the feasibility of molecular conformations for compounds designed to have increased potency for their target. As a necessary component to being effective on programs, I also use some standard cheminformatics techniques such as clustering, similiarity and substructure searching. More recently I've started learning more about text-mining and natural language processing methods as a way of helping teams I'm involved with get a better handle on the competitive landscape and structure unstructured data.

Specialties: Crystallography, Docking, Structure Based Drug Design methods

Learning more and more each day: Cheminformatics, QM calculations, Basic text-mining and NLP tools to structure unstructured Big Data sources,

Denise Pohlhaus' Experience



Public Company; 10,001+ employees; GSK; Pharmaceuticals industry

February 2010Present (4 years 8 months)

Computational Chemist

Educational Institution; 10,001+ employees; Higher Education industry

September 2009March 2010 (7 months)

QSAR modelling and Structure based drug design projects

Educational Institution; 10,001+ employees; Research industry

September 2007September 2009 (2 years 1 month)

For my postdoctoral research, I showed that fragment-based docking can prioritize hits to identify novel non-covalent inhibitors of AmpC β-lactamase, giving a unprecedented 46% hit rate. I solved the structure of AmpC β-lactamase in complex with 7 different active fragments.


Bioorganic Gordon Research Conference

20092009 (less than a year)

Educational Institution; 10,001+ employees; Higher Education industry

August 2002August 2007 (5 years 1 month)

During my tenure as a graduate student, I crystallized the human Pregnane X Receptor (PXR), which is a highly promiscuous nuclear xenobiotic receptor controlling metabolic gene expression for 50% of commercially available drugs. I've also run molecular dynamics simulations on this protein to determine how correlated motion affects transcriptional activity of nuclear receptors. I've provided structural insights on the mechanism of PXR antagonism using azoles.

Teaching Assistant

Ateneo de Manila University

Educational Institution; 501-1000 employees; Higher Education industry

June 2000June 2001 (1 year 1 month)

Teaching assistant for undergraduate Organic Chemistry Lab for a class of 20 students

Nonprofit; 51-200 employees; Nonprofit Organization Management industry

19991999 (less than a year)

Denise Pohlhaus' Publications

Denise Pohlhaus' Languages

  • Tagalog

Denise Pohlhaus' Skills & Expertise

  1. Cheminformatics
  2. Docking
  3. Molecular Dynamics
  4. Crystallography
  5. Computational Chemistry
  6. Drug Design
  7. Molecular Modeling
  8. Virtual Screening
  9. Drug Discovery
  10. Medicinal Chemistry
  11. Structural Biology
  12. Computational Biology
  13. X-ray crystallography
  14. Biophysics
  15. Protein Chemistry
  16. Chemistry
  17. QSAR
  18. Lead Change
  19. Biochemistry
  20. Bioinformatics

Denise Pohlhaus' Education

University of North Carolina at Chapel Hill

PhD, Chemistry


Activities and Societies: Endocrine Society International Student Representative, Chemistry Graduate Student Advisory Board

Ateneo de Manila University

BS, Chemistry


Activities and Societies: Ateneo Debate Society Ateneo Chemical Society Philippine Association of Chemistry Students

Denise Pohlhaus' Additional Information

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