Molecular Structures Research

Biomolecular NMR ProteinThe core labs providing resources and technical expertise in molecular structures serve a wide variety of disciplines.  Capabilities include: 

  • Determining high resolution structures, biological macromolecules, elucidation and structural mapping of protein-protein, protein-nucleic acid, protein-peptide, protein-drug interactions
  • Dynamics of proteins and their complexes in solutions
  • Protein identification
  • Analysis of protein primary structure and post-translational modifications
  • Computer simulations of the structure and properties of chemical and biomolecular systems
  • Interactive graphics and visualization programs to construct and submit simulations
  • Target protein crystallization
  • Model building and refinement of structures
  • High throughput crystallography with protein-ligand complexes
  • Identify what species are present and how much of it in mixtures of molecules
  • Determine three-dimensional solid-state structures of crystalline organic, inorganic and biological molecules
  • Absolute configurations for small molecules
  • Crystal structures for small organic and inorganic molecules and biological molecules
  • Rapid qualitative PXRD data collection and interpretation for microgram samples
Laboratories and Centers
Advanced Computing Facility
Biomolecular NMR
Center for Research Computing
Computational Chemical Biology
Mass Spectrometry
Molecular Graphics and Modeling
Nuclear Magnetic Resonance
Protein Structure
Solid State NMR
X-Ray Crystallography


Biochemistry & Protein Science

Bioinformatics & Modeling


Materials Characterization

Molecular Structures

Translational Biology

Ability to set up 24 NMR experiments at one time and eliminate periodic user intervention
Screen up to 100,000 compounds in two days for endpoint assays
Next-generation genome sequencing
Near-infrared and bioluminescence imaging instrumentation to track gene of interest and/or tumor growth
Expertise in the design and stability of various pharmaceutical dosage forms
More than 40 computational chemistry software programs and databases
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