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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)
1,079 216,564 1 1
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)
0 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
18 78 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
4,298 254,749 2 41
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)
1,815 46,821 12 24
Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening
PI: Rick Stevens, Argonne National Laboratory
874 25,130 1 2
Using MD and QM/MM to improve drug candidates for nCoV-19 targets
PI: Gerardo Cisneros, University of North Texas
76 214 1 4
9,695 553,182 25 597

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