Citizen Scientists Create an Exascale Computer to Combat COVID-19

BioRxiv : the Preprint Server for Biology
M. I. ZimmermanGregory R. Bowman

Abstract

The SARS-CoV-2/COVID-19 pandemic continues to threaten global health and socioeconomic stability. Experiments have revealed snapshots of many of the viral components but remain blind to moving parts of these molecular machines. To capture these essential processes, over a million citizen scientists have banded together through the Folding@home distributed computing project to create the world's first Exascale computer and simulate protein dynamics. An unprecedented 0.1 seconds of simulation of the viral proteome reveal how the spike complex uses conformational masking to evade an immune response, conformational changes implicated in the function of other viral proteins, and 'cryptic' pockets that are absent in experimental snapshots. These structures and mechanistic insights present new targets for the design of therapeutics. This living document will be updated as we perform further analysis and make the data publicly accessible.

Citations

Oct 3, 2020·Frontiers in Molecular Biosciences·Giulia PalermoValentina Tozzini
Mar 12, 2021·Chemical Reviews·Oliver T UnkeKlaus-Robert Müller
Mar 31, 2021·Nature Communications·Jasmine CubukAlex S Holehouse
May 4, 2021·Journal of Chemical Information and Modeling·Terra SztainJ Andrew McCammon
May 12, 2021·Nature Structural & Molecular Biology·Tristan I CrollAndrea Thorn
Jun 8, 2021·Journal of Chemical Information and Modeling·Daniel J EvansAlbert Y Lau
Jun 3, 2021·Viruses·Ashley Lauren Bennett, Rory Henderson

Methods Mentioned

BETA
glycosylation
NMR
nuclear magnetic resonance

Related Concepts

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