COVID-19 Project Utilization
| Project | Number of Jobs Run To-Date | Node Hours Used To-Date | Number of Jobs Running Now | Nodes in Use Now | |
|---|---|---|---|---|---|
| Cleveland Clinic COVID-19 Computational Science Projects Requiring Additional Compute Needs PI: Feixiong Cheng, Cleveland Clinic |
100 | 14,051 | 5 | 100 | |
| Computational Systems Biology for Viral Detection and Classification of Emerging Infections and Rapid Identification of Causal Agents and Mechanisms PI: Daniel Jacobson, Oak Ridge National Laboratory (ORNL) |
2,408 | 226,524 | 0 | 0 | |
| COVID research PI: Bobby Sumpter, Oak Ridge National Laboratory (ORNL) |
43 | 3,270 | 0 | 0 | |
| COVID-19: Molecular Simulations and Underexplored Drug Targets PI: Jason Crain, International Business Machines Corporation (IBM) |
27 | 78 | 0 | 0 | |
| COVID-19: Submodular Optimization & Graph Clustering Approaches for Designing Effective Vaccination Strategies PI: Mahantesh Halappanavar, Pacific Northwest National Laboratory |
159 | 1,751 | 0 | 0 | |
| Determining the contribution of glycosylation to SARS-CoV-2 S-protein conformational dynamics PI: James Gumbart, Georgia Institute of Technology |
131 | 1,919 | 1 | 1 | |
| Dissecting inhibitor impacts on viral RNA polymerase and fidelity control of RNA synthesis in SARS-CoV-2 PI: Jin Yu, University of California - Irvine |
154 | 831 | 0 | 0 | |
| Drug Discovery for COVID-19 PI: Jeremy Smith, University of Tennessee |
8,421 | 532,037 | 3 | 124 | |
| Forecasting COVID-19 Infections across the US PI: Jesse Piburn, Oak Ridge National Laboratory (ORNL) |
0 | 0 | 0 | 0 | |
| Molecular Simulations of Complexes of SARS-CoV Spike Proteins with Human Receptor ACE2 PI: Sameer Varma, University of South Florida |
2,497 | 7,947 | 15 | 25 | |
| Multiscale modeling of SARS-CoV-2 virion and structural proteins PI: Gregory Voth, University of Chicago |
1 | 0 | 0 | 0 | |
| Pandemic Modeling for COVID-19 PI: Byung Park, Oak Ridge National Laboratory (ORNL) |
3 | 1 | 0 | 0 | |
| Physical Models of COVID-19 Related Proteins PI: Ken Dill, State University of New York at Stony Brook |
274 | 5,780 | 5 | 34 | |
| Prediction of synergistic drug combinations for treatment of COVID-19 PI: Jennifer Diaz, Icahn School of Medicine at Mount Sinai |
369 | 1,987 | 0 | 0 | |
| Rapid Drug Discovery for COVID19 - Application to Human Targets PI: Rangaprasad Sarangarajan, BERG LLC |
28 | 1,907 | 0 | 0 | |
| Structural Modeling of COVID-19 with HP PI: Debsindhu Bhowmik, Oak Ridge National Laboratory (ORNL) |
3,165 | 88,444 | 2 | 3 | |
| Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening PI: Rick Stevens, Argonne National Laboratory |
1,948 | 84,126 | 0 | 0 | |
| Using MD and QM/MM to improve drug candidates for nCoV-19 targets PI: Gerardo Cisneros, University of North Texas |
142 | 3,346 | 0 | 0 | |
| 19,870 | 974,000 | 31 | 287 |
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