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, Available fields are: Gene name ( HGNC name or synonyms), Protein class, Chromosome, External identifier ( Ensembl gene, transcript or protein identifier, UniProt accession number, NCBI Entrez gene identifier), Subcellular location based on immunofluorescent staining in three different cell lines, Organ-, Tissue-, Cancer- and Cell line expression, Antibody validation results in four different assays ( IH=immunohistochemistry, IF=immunoflourescence, WB=Western blot, PA=Protein array), evidence scores and a filtration on Genes with antibodies only and Genes with knowledge-based annotated protein expression ( IH, IF).VMD is a molecular visualization program for displaying, animating,Īnd analyzing large biomolecular systems using 3-D graphics and
Specific fields can be searched by using the "Fields"-function. The free text query word needs to be at least three characters long. The free text search will scan for complete and partial matches to gene names, gene synonyms, gene descriptions, external ( UniProt, Ensembl, NCBI Entrez Gene) gene and protein identifiers, protein classes, Gene Ontology identifiers and descriptions, antibody identifiers and image annotations. The search function can be used for free text search (type anything in the search field), or for more complex queries using "Fields" (see examples).
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