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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.
33 9 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)
6,550 261,530 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)
532 3,879 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
1,951 92,165 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
621 4,920 1 1
Drug Discovery for COVID-19
PI: Jeremy Smith, University of Tennessee
9,527 602,851 5 80
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
4,947 14,960 0 0
Multiscale modeling of SARS-CoV-2 virion and structural proteins
PI: Gregory Voth, University of Chicago
572 18,047 9 18
Pandemic Modeling for COVID-19
PI: Byung Park, Oak Ridge National Laboratory (ORNL)
68 248 0 0
Physical Models of COVID-19 Related Proteins
PI: Ken Dill, State University of New York at Stony Brook
703 50,481 0 0
Prediction of synergistic drug combinations for treatment of COVID-19
PI: Jennifer Diaz, Icahn School of Medicine at Mount Sinai
384 1,989 0 0
Rapid Drug Discovery for COVID19 - Application to Human Targets
PI: Rangaprasad Sarangarajan, BERG LLC
126 6,906 0 0
Simulating the Transmission and Dispersion of Aerosol in Turbulent Flows
PI: Ramesh Balakrishnan, Argonne National Laboratory
0 0 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
33 2,522 0 0
Structural Modeling of COVID-19 with HP
PI: Debsindhu Bhowmik, Oak Ridge National Laboratory (ORNL)
4,220 120,158 0 0
Targeting the SARS-CoV-2 Proteome with Artificial Intelligence (AI) Driven Small Molecule Design and Screening
PI: Rick Stevens, Argonne National Laboratory
4,203 386,031 0 0
Using MD and QM/MM to improve drug candidates for nCoV-19 targets
PI: Gerardo Cisneros, University of North Texas
469 16,231 9 36
35,302 1,630,301 24 135

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