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 · 2023 · Scientific Reports
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
The study found no significant effect — useful as a negative control or null benchmark for your own design.
Abstract (excerpt)
Abstract Protein-ligand docking is a computational method for identifying drug leads. The method is capable of narrowing a vast library of compounds down to a tractable size for downstream simulation or experimental testing and is widely…
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Metadata source: Crossref · DOI 10.1038/s41598-023-28785-9