Summary: 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 Pittsburgh Supercomputing Center (PSC). Additionally, they used Grizzly at the Los Alamos National Laboratory; Blue Waters at the National Center for Supercomputing Applications; and the Frontera system at TACC. TACC science writer and podcast host Jorge Salazar discusses the findings with study co-authors Alex Bryer and Juan Perilla, both at the University of Delaware, where Bryer is a PhD student in the Perilla Laboratory, and Perilla an assistant professor in the Department of Chemistry and Biochemistry. Supersized Science is part of the Texas Podcast Network – the conversations changing the world – brought to you by The University of Texas at Austin. The opinions expressed in this podcast represent the views of the hosts, and not of The University of Texas at Austin. Story Link: https://www.tacc.utexas.edu/-/pioneering-simulations-focus-on-hiv-1-virus Music Credit: Raro Bueno, Chuzausen freemusicarchive.org/music/Chuzausen/
