Usage examples for all datasets listed in the Registry of Open Data on AWS tagged with COVID-19.
Tutorials
Tools & Applications
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SARS-CoV-2 spike RBD with N501Y mutation bound to human ACE2 (953.7 µs) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 COVID Moonshot absolute free energy calculations by The Voelz lab at Temple University
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SARS-CoV-2 main viral protease (Mpro, 3CLPro, nsp5) dimer simulations: A 2.9 ms dataset of the SARS-CoV-2 main viral protease (apo, dimer) in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 main viral protease (Mpro, 3CLPro, nsp5) monomer simulations: A 2.6 ms equilibrium dataset of the SARS-CoV-2 main viral protease (apo, monomer) by The Chodera lab at MSKCC
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SARS-CoV-2 main viral protease (Mpro, 3CLPro, nsp5) monomer simulations: A 6.4 ms dataset of the SARS-CoV-2 main viral protease (apo, monomer) in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp10 dataset: A 6.1 ms dataset of the SARS-CoV-2 nsp10 protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp3 macrodomain dataset: An 11 ms dataset of the SARS-CoV-2 nsp3 macrodomain in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp3 pl2pro domain dataset: An 731 µs dataset of the SARS-CoV-2 nsp3 pl2pro domain in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp7 simulations: A 3.7 ms dataset of the SARS-CoV-2 nsp7 protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp8 simulations: A 1.8 ms dataset of the SARS-CoV-2 nsp8 protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 nsp9 simulations: A 9 ms dataset of the SARS-CoV-2 nsp9 protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 RNA polymerase (nsp12, RdRP) dataset: A 3.4 ms dataset of the SARS-CoV-2 nsp12 protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 spike protein dataset: A 1.2 ms dataset of the SARS-CoV-2 spike protein in search of cryptic pockets by The Bowman lab at Washington University in St. Louis
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SARS-CoV-2 spike RBD (with glycosylation) (1.8 ms) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD (without glycosylation) (1.9 ms) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD bound to human ACE2 receptor (173.8 us): Wild-type and mutant simulations by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD bound to monoclonal antibody S2H97 (623.7 us) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD bound to monoclonal antibody S309 (1.1 ms) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD with P337A mutation bound to monoclonal antibody S309 (907.0 µs) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
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SARS-CoV-2 spike RBD with P337L mutation bound to monoclonal antibody S309 (923.2 µs) by The Chodera lab at the Memorial Sloan Kettering Cancer Center
Publications
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Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity by Emma C. Thomson, Laura E, Rosen, James G. Shepherd, et al.
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SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape by Tyler N. Starr, Nadine Czudnochowski, Zhuoming Liu, et al.
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SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome by Maxwell I. Zimmerman, Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller, Upasana L. Mallimadugula, Catherine E. Kuhn, Jonathan H. Borowsky, View ORCID ProfileRafal P. Wiewiora, Matthew F. D. Hurley, Aoife M Harbison, Carl A Fogarty, Joseph E. Coffland, Elisa Fadda, Vincent A. Voelz, John D. Chodera, Gregory R. Bowman
Tutorials
Tools & Applications
Publications
Tools & Applications
Publications
Tutorials
Tools & Applications
Tools & Applications
Publications
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How Well Do Self-Supervised Models Transfer to Medical Imaging? by Anton J, Castelli L, Chan MF, Outthers M, Tang WH, Cheung V, et al.
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Study of Thoracic CT in COVID-19: The STOIC Project by Revel MP, Boussouar S, de Margerie-Mellon C, Saab I, Lapotre T, Mompoint D, et al.
Tutorials
Tools & Applications
Tutorials
Tools & Applications
Tutorials
Tools & Applications
Tools & Applications
Publications
If you want to add a dataset or usage example to this registry, please follow the instructions on the Registry of Open Data on AWS GitHub repository or tell us about your project.
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