Multiscale coarse-grained model of complete SARS-CoV-2 virion developed for first time using supercomputers. Cooperative motion of coronavirus spike protein simulations likely informative of how virus explores and detects ACE2 receptors of potential host cell. Frontera supercomputer at TACC generated all-atom simulations of coronavirus spike protein system that fed into coarse-grained model. Whole coronavirus model provides iterative platform useful for design of safer, better medicines to treat and prevent COVID-19.
from Top Technology News -- ScienceDaily https://ift.tt/3c5rTlx
Monday, 1 March 2021
First complete coronavirus model shows cooperation
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