![]() The AI-driven workflow and weighted ensemble methods used by the The NAMD simulations collectively performed over one ZettaFLOP Operated by the Oak Ridge National Laboratory. Summit, the most powerful supercomputer in the United States, Its interaction with the human receptor ACE2,Īnd 305M-atom simulations of the full SARS CoV-2 virion, using The winning team developed a new AI-driven simulation workflow toĭrive 8.5M-atom simulations of the SARS CoV-2 spike protein, Were part of a talented multi-institutional interdisciplinary team awardedĪt Supercomputing 2020 with the internationally recognizedĪCM Gordon Bell Special Prize for COVID-19 Research,ĭescribed as the "Nobel Prize for high performance computing." Members of the Theoretical and Computational Biophysics Group Is distributed free of charge, and includes source code. ![]() VMD supports computers running MacOS X, Unix, or Windows, VMD is a molecular visualization program for displaying, animating,Īnd analyzing large biomolecular systems using 3-D graphics and
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