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Scalable HPC and AI Infrastructure for COVID-19 Therapeutics., , , , , , , , , and 8 other author(s). CoRR, (2020)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)Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles., , , , , , , , , and . CoRR, (2021)Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action., , , , , , , , , and 24 other author(s). Int. J. High Perform. Comput. Appl., 36 (5-6): 603-623 (2022)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)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). ICPP, page 40:1-40:12. ACM, (2021)IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). CoRR, (2020)Stream-AI-MD: streaming AI-driven adaptive molecular simulations for heterogeneous computing platforms., , , , , , , , , and 4 other author(s). PASC, page 6:1-6:13. ACM, (2021)AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics., , , , , , , , , and 19 other author(s). Int. J. High Perform. Comput. Appl., (2021)#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol., , , , , , , , , and 42 other author(s). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)