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High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor., , , , , , , , , и 20 other автор(ы). J. Chem. Inf. Model., 62 (1): 116-128 (2022)Scalable HPC and AI Infrastructure for COVID-19 Therapeutics., , , , , , , , , и 8 other автор(ы). CoRR, (2020)Analysis of Conserved Hydrophobic Cores in Proteins and Supramolecular Complexes., , , , , , , , и . J. Bioinform. Comput. Biol., 4 (2): 357-372 (2006)The Ghost of Performance Reproducibility Past., , , , и . e-Science, стр. 513-518. IEEE, (2022)Uncertainty Quantification of Metal Additive Manufacturing Processing Conditions Through the use of Exascale Computing., , , , , и . SC Workshops, стр. 379-383. ACM, (2023)Design and Performance Characterization of RADICAL-Pilot on Leadership-class Platforms., , , , и . CoRR, (2021)Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers., , , , , , , , , и 19 other автор(ы). CoRR, (2021)RADICAL-Pilot and PMIx/PRRTE: Executing Heterogeneous Workloads at Large Scale on Partitioned HPC Resources., , , , , и . JSSPP, том 13592 из Lecture Notes in Computer Science, стр. 88-107. Springer, (2022)Modeling Impact of Execution Strategies on Resource Utilization., , , , , , , и . eScience, стр. 340. IEEE Computer Society, (2018)Design and Implementation of an Analysis Pipeline for Heterogeneous Data., , , , , , , , , и 1 other автор(ы). CoRR, (2024)