Deep learning approaches have potential to substantially reduce the astronomical costs and long timescales involved in drug discovery. KarmaDock proposes a deep learning workflow for ligand docking that shows improved performance against both benchmark cases and in a real-world virtual screening experiment.
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The author declares no competing interests.
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Kamerlin, S.C.L. Progress in using deep learning to treat cancer. Nat Comput Sci 3, 739–740 (2023). https://doi.org/10.1038/s43588-023-00514-2