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High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor., , , , , , , , , and 20 other author(s). J. Chem. Inf. Model., 62 (1): 116-128 (2022)The Ghost of Performance Reproducibility Past., , , , and . e-Science, page 513-518. IEEE, (2022)Analysis of Conserved Hydrophobic Cores in Proteins and Supramolecular Complexes., , , , , , , , and . J. Bioinform. Comput. Biol., 4 (2): 357-372 (2006)Scalable HPC and AI Infrastructure for COVID-19 Therapeutics., , , , , , , , , and 8 other author(s). CoRR, (2020)Uncertainty Quantification of Metal Additive Manufacturing Processing Conditions Through the use of Exascale Computing., , , , , and . SC Workshops, page 379-383. ACM, (2023)Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms., , , , and . CoRR, (2021)Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers., , , , , , , , , and 19 other author(s). CoRR, (2021)RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources., , , , , and . JSSPP, volume 13592 of Lecture Notes in Computer Science, page 88-107. Springer, (2022)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). ICPP, page 40:1-40:12. ACM, (2021)Design and Implementation of an Analysis Pipeline for Heterogeneous Data., , , , , , , , , and 1 other author(s). CoRR, (2024)