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Paper of the Month

Molecular Basis for the Structural Instability of Human DJ-1 Induced by the L166P Mutation Associated with Parkinson's Disease

Anderson P.C. and Daggett V.
Biochemistry 47: 9380-9393, 2008

DJ-1 is a dimeric protein of unknown function in vivo. A mutation in the human DJ-1 gene causing substitution of proline for leucine at residue 166 (L166P) has been linked to early onset Parkinson’s disease. Lack of structural stability has precluded experimental determination of atomic-resolution structures of the L166P DJ-1 polymorph. More...


Goals: Realistic simulation of protein dynamics, unfolding/folding, and conformational transitions linked to disease.

Latest News

  • A Case Study was done by Microsoft in August of 2008 investigating the data management scheme the group has developed for the Dynameomics Database. Microsoft SQL Server 2005 and OLAP are used to mine over 20 terabytes of simulation data which reside on three servers.
  • Bioinform, one of GenomeWeb's Application-Focus Newsletters, featured the Daggett Group's research in an article by Vivien Marx in July of 2008.
  • Microsoft featured the Group's integration of Windows software in a Case Study in June of 2008. High-performance computing clusters running Windows Compute Cluster Server are used to run the lab's molecular dynamics software with better performace than the optimized Linux version, and Microsoft SQL Server powers the 14-terabyte Dynameomics Database. The group's application of Microsoft's software was also featured in a Press Release.
  • Bleeding Edge Biotech, a blog hosted by Carnegie Mellon computational biologist Adam Kraut, highlighted the Dynameomics Project in April of 2008.
  • The Daggett Lab was awarded 10 million processor hours for 2008 on the Department of Energy's supercomputers! The National Energy Research Scientific Computing Center (NERSC), located in Berkeley, CA, is one of the largest computing facilities in the world for basic scientific research.
  • The Washington Research Foundation highlighted the Group's in house molecular dynamics software, in lucem molecular mechanics, in their 2007 Annual Report.
  • The Daggett Group was named a UW Technology Gap Innovation Fund Recipient (see page 24) for 2007. This grant supports development of a graphical user interface and protein and drug design functionality for ilmm, the Group's in house molecular dynamics software.
© Daggett Group 2005-2008