Coronavirus Spike Protein Simulation (IMAGE)
Caption
SARS-CoV-2 spike protein of the coronavirus was simulated by the Romaro Lab of UC San Diego on the NSF-funded Frontera supercomputer of TACC at UT Austin. It's the main viral protein involved in host-cell coronavirus infection. Physics-based molecular dynamics simulations can predict how the coronavirus molecular machine moves, which allows researchers insight into its vulnerabilities to potential vaccines and drugs. Coronavirus Spike head based on pdb 6vsb; spike stalk using homology modeling; glycoprofile designed according to Walls et al. 2019 Cell, and Watanabe et al. 2020 bioRxiv.
Credit
Rommie Amaro, UCSD
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