MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery.
Siebenmorgen T, Menezes F, Benassou S, Merdivan E, Didi K, Mourão ASD, Kitel R, Liò P, Kesselheim S, Piraud M, Theis FJ, Sattler M, Popowicz GM.
Siebenmorgen T, et al. Among authors: lio p.
Nat Comput Sci. 2024 May;4(5):367-378. doi: 10.1038/s43588-024-00627-2. Epub 2024 May 10.
Nat Comput Sci. 2024.
PMID: 38730184
Free PMC article.