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 |
12 | 67 | 1 | 1 | |
| 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) |
1,089 | 216,639 | 2 | 4 | |
| COVID research PI: Bobby Sumpter, Oak Ridge National Laboratory (ORNL) |
43 | 3,270 | 1 | 256 | |
| COVID-19: Molecular Simulations and Underexplored Drug Targets PI: Jason Crain, International Business Machines Corporation (IBM) |
1 | 0 | 0 | 0 | |
| COVID-19: Submodular Optimization & Graph Clustering Approaches for Designing Effective Vaccination Strategies PI: Mahantesh Halappanavar, Pacific Northwest National Laboratory |
159 | 1,751 | 1 | 256 | |
| Determining the contribution of glycosylation to SARS-CoV-2 S-protein conformational dynamics PI: James Gumbart, Georgia Institute of Technology |
40 | 370 | 1 | 2 | |
| Dissecting inhibitor impacts on viral RNA polymerase and fidelity control of RNA synthesis in SARS-CoV-2 PI: Jin Yu, University of California - Irvine |
101 | 164 | 1 | 1 | |
| Drug Discovery for COVID-19 PI: Jeremy Smith, University of Tennessee |
4,476 | 260,414 | 2 | 36 | |
| 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 |
1,176 | 4,154 | 2 | 4 | |
| Physical Models of COVID-19 Related Proteins PI: Ken Dill, State University of New York at Stony Brook |
44 | 219 | 1 | 5 | |
| Prediction of synergistic drug combinations for treatment of COVID-19 PI: Jennifer Diaz, Icahn School of Medicine at Mount Sinai |
0 | 0 | 0 | 0 | |
| Structural Modeling of COVID-19 with HP PI: Debsindhu Bhowmik, Oak Ridge National Laboratory (ORNL) |
2,075 | 52,648 | 20 | 40 | |
| Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening PI: Rick Stevens, Argonne National Laboratory |
884 | 25,144 | 1 | 1 | |
| Using MD and QM/MM to improve drug candidates for nCoV-19 targets PI: Gerardo Cisneros, University of North Texas |
98 | 917 | 3 | 12 | |
| 10,198 | 565,758 | 36 | 618 |
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OLCF News
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