Tacc Podcasts

Pioneering Simulations Focus On HIV-1 Virus

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Synopsis

Sometimes a container isn’t just a container, not when it comes to the deadly HIV-1 virus The HIV-1 virus is wrapped in a double layer of fatty molecules called lipids that not only serves as its container but also plays a key role in HIV-1’s replication and infectivity. Scientists have used supercomputers to complete the first-ever biologically authentic computer model of the HIV-1 virus liposome, its complete spherical lipid bilayer. These results were published January 2022 in the journal PLOS Computational Biology. What’s more, this study comes fresh off the heels of a new atomistic model of the HIV-1 capsid, which contains its genetic material. This work came out in November 2021 in the journal Science Advances The scientists were awarded supercomputer allocations and training by XSEDE, the Extreme Science and Engineering Discovery Environment, funded by the National Science Foundation. Through XSEDE, they used the Stampede2 system at the Texas Advanced Computing Center (TACC) and Bridges at the Pitt