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Computing a cure for HIV

protein strcuture and text photo gallery

View a slideshow that shows how scientists are applying massive computing power and computational know-how to understand and treat HIV.

Credit: National Science Foundation


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protein structure

A hidden pocket buried within a vital HIV protein (Reverse Transcriptase) can be targeted by drugs that act as "molecular wedges" and effectively prevent replication of the virus.

Credit: Anthony Ivetac, Sara E. Swift and J. Andrew McCammon, Department of Chemistry and Biochemistry, University of California at San Diego; John Naughton, Arturo Diaz and John A. T. Young, The Nomis Center for Immunobiology and Microbial Pathogenesis, The Salk Institute for Biological Studies; Paul L. Boyer and Stephen H. Hughes, HIV Drug Resistance Program, Center for Cancer Research, National Cancer Institute


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Students at Merrimack College in a computer lab performing virtual HIV screens

Merrimack College undergraduates Daniel Laverty (back) and Dave Daniels (front) evaluating the hits from the virtual screening using PyMOL.

Credit: Jimmy Franco, Merrimack College


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A screenshot of an active Foldit puzzle.

FoldIt is part of an experimental research project supported by NSF and developed by the University of Washington's Center for Game Science in collaboration with the UW Department of Biochemistry. The case of the crowdsourced protein structure serves as a critical example of how games with a purpose can solve real-world problems.

Credit: University of Washington


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illustrations showing simulations of 2 proteins key for HIV novel inhibitors

Scientists created simulations of two proteins that play a key role in HIV in order to find novel inhibitors.

Credit: Kwon YD, LaLonde JM, Yang Y, Elban MA, et al.


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