Coronavirus massive simulations completed on Frontera supercomputer

(University of Texas at Austin, Texas Advanced Computing Center) Coronavirus envelope all-atom computer model being developed by Amaro Lab of UC San Diego on NSF-funded Frontera supercomputer of TACC at UT Austin. Coronavirus model builds on success of all-atom infuenza virus simulations by Amaro Lab. Molecular dynamics simulations for the coronavirus model tests ran on up to 4,000 nodes, or about 250,000 of Frontera's processing cores. Full model can help researchers design new drugs, vaccines to combat the coronavirus.
Source: EurekAlert! - Infectious and Emerging Diseases - Category: Infectious Diseases Source Type: news