"MISATO: machine learning dataset of protein-ligand complexes for ..."

Till Siebenmorgen et al. (2024)

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DOI: 10.1038/S43588-024-00627-2

access: open

type: Journal Article

metadata version: 2025-01-19

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Till Siebenmorgen, Filipe Menezes, Sabrina Benassou, Erinc Merdivan, Kieran Didi, André Santos Dias Mourão, Radoslaw Kitel, Pietro Liò, Stefan Kesselheim, Marie Piraud, Fabian J. Theis, Michael Sattler, Grzegorz M. Popowicz:
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nat. Comput. Sci. 4(5): 367-378 (2024)

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