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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 . Int. J. High Perform. Comput. Appl., 36 (5-6): 603-623 (2022)

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AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2., , , , , , , , , and 12 other author(s). J. Chem. Inf. Model., 63 (5): 1438-1453 (March 2023)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)Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery., , , , , , , , , and 6 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)Learning Curves for Drug Response Prediction in Cancer Cell Lines., , , , , , , , , and 2 other author(s). CoRR, (2020)Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery., , , , , , , , , and 6 other author(s). ICLR, OpenReview.net, (2022)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)Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats., , , , , , , , , and 2 other author(s). ICMLA, page 800-807. IEEE, (2023)DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies., , , , , , , , , and 82 other author(s). CoRR, (2023)#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)