An anonymous reader writes: From Network World:
In its SARS-CoV-2 simulations, F@h first targeted the spike, the cone-shaped appendages on the surface of the virus consisting of three proteins. The spike must open to attach itself to a human cell to infiltrate and replicate. F@h's mission was to simulate this opening process to gain unique insight into what the open state looks like and find a way to inhibit the connection between the spike and human cells.
In a newly published paper, the Folding@home team said it was able to simulate an "unprecedented" 0.1 seconds of the viral proteome. They captured dramatic opening of the spike complex, as well as shape-shifting in other proteins that revealed more than 50 "cryptic" pockets that expand targeting options for the design of antivirals.
And the tech sector played a big role in helping the find.
Microsoft, Nvidia, AMD, Intel, AWS, Oracle, and Cisco all helped with hardware and cloud services. Pure Storage donated a one petabyte all-flash storage array. Linus Tech Tips, a hobbyist YouTube channel for home system builders with 12 million followers, set up a 100TB server to take the load off.
"We're extremely grateful for all the help," Bowman said. "The massive outpouring of support from citizen scientists and the help from the tech industry opened up scientific opportunities we wouldn't have had otherwise."