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Drug discovery

Progress in using deep learning to treat cancer

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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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Fig. 1: Overview of the KarmaDock workflow7.

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Authors and Affiliations

  1. School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, USA

    Shina Caroline Lynn Kamerlin

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  1. Shina Caroline Lynn Kamerlin
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Correspondence to Shina Caroline Lynn Kamerlin.

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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

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