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Science teams get time on Blue Waters

First all-atom structure of an HIV virus capsid in its tubular form


From Klaus Schulten's project about HIV infection, this image is of the first all-atom structure of an HIV virus capsid in its tubular form. Schulten and his team at the University of Illinois at Urbana-Champaign are studying the protein capsid that encases the HIV-1 genome. The process through which this capsid disassembles, releasing its genetic material, is a critical step in HIV infection. Schulten's group will simulate a cylindrical capsid consisting of 12.5 million atoms.

More about this image
In 2012, Klaus Schulten and his team at the University of Illinois at Urbana-Champaign were among six teams of researchers selected to start using the first phase of the Blue Waters sustained-petascale supercomputer to study some of the most vexing problems in science and engineering from climate change to the HIV infection. It's the first use of Blue Waters, which is on its way to becoming one of the most powerful supercomputers in the world.

Blue Waters is supported by the National Science Foundation's (NSF) Office of Cyberinfrastructure, along with the University of Illinois' National Center for Supercomputing Applications (NCSA).

Through a competitive process, NSF and NCSA awarded more than two dozen research teams Petascale Computing Resource Allocations -- time to use Blue Waters. From among these, a smaller group of six teams was selected to use the Early Science System before the full Blue Waters system is deployed later this year.

To learn more about this research, see the NSF News From the Field story NSF's most powerful computing resource has opened its doors to 6 science teams. (Date image taken: March 2012; date originally posted to NSF Multimedia Gallery: Dec. 26, 2017)

Credit: Courtesy of Klaus Schulten, University of Illinois at Urbana-Champaign Theoretical and Computational Biophysics Group/Beckman Institute; Angela Gronenborn and Peijun Zhang, University of Pittsburgh School of Medicine Center for HIV Protein Interactions/Department of Structural Biology

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