AI-accelerated Protein-Ligand Docking for SARS-CoV-2 is 100-Fold Faster with No Significant Change in Detection

Austin Clyde,Xuefeng Liu,Thomas Brettin,Hyunseung Yoo,Alexander Partin,Yadu Babuji,Ben Blaiszik,Jamaludin Mohd-Yusof,Andre Merzky,Matteo Turilli,Shantenu Jha,Arvind Ramanathan,Rick Stevens

SCIENTIFIC REPORTS（2023）

Cited 3|Views77

Key words

Computational biology and bioinformatics,Computer science,Developmental biology,Scientific data,Science,Humanities and Social Sciences,multidisciplinary

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