Sumary of Researchers receive coveted award for outstanding research on COVID-19:
- Reviewed by Emily Henderson, B.Sc.Nov 20 2020 The 2020 ACM Gordon Bell Special Prize for High Performance Computing-Based COVID-19 Research was presented to a 12-member team for their project “AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics.”.
- In their paper, the winning team develops a generalizable AI-driven workflow that leverages heterogeneous HPC resources to explore the time-dependent dynamics of molecular systems..
- Related Stories They use this workflow to investigate the mechanisms of infectivity of the SARS-CoV-2 spike protein, the main infection machinery of the virus..
- Their workflow enables more efficient investigation of spike dynamics in a variety of complex environments, including within a complete SARS-CoV-2 viral envelope simulation that contains 305 million atoms and shows strong scaling on Oakridge National Laboratory’s Summit supercomputer using nanoscale molecular dynamics (NAMD) software..
- They also demonstrate how AI can accelerate conformational sampling across different systems and pave the way for the future application of such methods to additional studies in SARS-CoV-2 and other molecular systems…