Research Areas

Structural Bioinformatics:

  • Structure databases
  • Comparative analysis
  • Classification
  • Structure prediction
  • Structural genomics
  • Protein-protein & protein-ligand interactions
  • Sequence-structure-function relationships
  • Evolution
  • Protein dynamics
  • Immunology

Information Technologies:

  • Data modeling, ontologies and query languages
  • High performance computing as applied to genomics and proteomics
  • Workflows
  • Visualization
  • Multimedia publishing
  • Database-literature integration

Biological Systems Studied:

  • Networks
  • Cell signaling
  • Apoptosis
  • B and T cell receptors

Specific Target Areas

  • Off-target and repositioning of major pharmaceuticals
  • Improving access and usability of biological data, standards and methods associated with macromolecular structure.
  • Mapping protein fold space, automated classification of proteins according to sequence structure and function.
  • High throughput proteomics to provide putative structural and functional annotation for use in comparative proteomics.
  • Standards development develop new ontologies, expand existing ontologies, provide benchmark data.
  • Protein structure prediction aided by deuterium exchange mass spectrometry.
  • Epitope prediction.
  • Evolution studied through protein fold, domain, family and superfamily distributions.
  • Sequence-structure-function relationships in protein kinases.
  • Functionally flexible regions in protein families.
  • Prediction of sites of protein interaction and the complexes themselves.
  • Development of reusable visualization tools.
  • Multimedia-based dissemination of science.


  1. The RCSB Protein Data Bank (PDB) is in many ways the production arm of our research efforts.
  2. The Immune Epitope Database (IEDB)
  3. Mapping protein fold space - Comparing the 3D structures of proteins is non-trivial. We have developed algorithms for pairwise and multiple structure alignment.
  4. Protein domain assignment and classification, in 3-D,
  5. SciVee (SciVee)– integration of video and sound content with original publications.
  6. BioLit (biolit) - integration of literature and database content.
  7. Representing data on protein families -. The Apoptosis Database characterizes domains known to be involved in apoptosis.
  8. The molecular biology toolkit (mbt) is a toolkit for the Web delivery of high quality visuals of biological data, most notably macromolecular structure and uses Java3D.