NRBSC Research: Structural Biology

Molecular Dynamics

  • The Bridge From Genes to Proteins: Exploring Protein Folding Free Energy Landscapes [Charlie Brooks]
  • Computational Chemistry of Aldehyde Dehydrogenases [Troy Wymore]

Ab Initio Models

  • Computational Models for Protein-Metal Ion Binding Sites [David Deerfield]
  • Computational Models for Nucleic Acid-Metal Ion Binding Sites [David Deerfield]

Structural Database

  • Protein Structure Database (PSdb) Summary [David Deerfield]

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NRBSC Gateways

Microphysiology Gateway image.

Volumetric Data and Viz Gateway Analysis.

Quantum Mechanics/Molecular Mechanics Simulation Gateway.

NRBSC projects are made possible by these sponsors:

NIH logo. Pittsburgh Supercomputing Center logo. NCRR logo.