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Paper of the Month

Side-chain dynamics are critical for water permeation through aquaporin-1

Smolin N., Li B., Beck D.A.C., and Daggett V.
Biophysical Journal (2008) In Press

Molecular dynamics simulations of aquaporin-1 embedded in a solvated lipid bilayer were performed to investigate the mechanism of water permeation. The 2.2 Â resolution crystal structure of the bovine protein was used for five independent trajectories, lasting between 4 and 10 ns. more...

Latest News

The Washington Research Foundation highlighted the Group's in house molecular dynamics software, in lucem molecular mechanics, in their 2007 Annual Report.
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 Benjamin Hall Interdisciplinary Research Building, one of only 11 Gold-level green buildings in the US, is the new home of the Daggett Lab.