RESEARCH PAPER · Scientific Reports · 2023
AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection
Austin Clyde, Xuefeng Liu, Thomas Scott Brettin, Hyunseung Yoo, Alexander Partin, Yadu Babuji, Ben J. Blaiszik, Jamaludin Mohd-Yusof, André Merzky, Matteo Turilli, Shantenu Jha, Arvind Ramanathan, Rick L. Stevens
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