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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
Accelerating COVID-19 drug discovery through leadership-scale graph neural net machine learning
PI: Thomas Miller, Entos, Inc.
0 0 0 0
Cleveland Clinic COVID-19 Computational Science Projects Requiring Additional Compute Needs
PI: Feixiong Cheng, Cleveland Clinic
161 42,353 0 0
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)
5,027 243,271 1 1
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)
529 3,859 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
512 25,153 0 0
Dissecting inhibitor impacts on viral RNA polymerase and fidelity control of RNA synthesis in SARS-CoV-2
PI: Jin Yu, University of California - Irvine
364 2,230 0 0
Drug Discovery for COVID-19
PI: Jeremy Smith, University of Tennessee
9,069 586,046 0 0
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
4,894 14,900 0 0
Multiscale modeling of SARS-CoV-2 virion and structural proteins
PI: Gregory Voth, University of Chicago
133 3,292 8 16
Pandemic Modeling for COVID-19
PI: Byung Park, Oak Ridge National Laboratory (ORNL)
48 224 0 0
Physical Models of COVID-19 Related Proteins
PI: Ken Dill, State University of New York at Stony Brook
477 22,355 2 16
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
89 5,495 0 0
Simulation of Full-scale, Membrane-Bound SARS-CoV2 Spike Proteins in Crowded Viral Envelope
PI: Karan Kapoor, University of Illinois at Urbana-Champaign
2 0 0 0
Structural Modeling of COVID-19 with HP
PI: Debsindhu Bhowmik, Oak Ridge National Laboratory (ORNL)
3,550 102,005 10 20
Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening
PI: Rick Stevens, Argonne National Laboratory
3,163 189,839 2 12
Using MD and QM/MM to improve drug candidates for nCoV-19 targets
PI: Gerardo Cisneros, University of North Texas
284 7,970 0 0
28,873 1,256,001 23 65

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Up since Sep 15, 2020

Next 10 days scheduled downtimes

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NCCS Summer Interns Completed Successful Season Despite COVID-19

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