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Prospective de novo drug design with deep interactome learning.
Nat Commun. 2024 Apr 22;15(1):3408. doi: 10.1038/s41467-024-47613-w.
Nat Commun. 2024.
PMID: 38649351
Free PMC article.
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment.
Lehner MT, Katzberger P, Maeder N, Schiebroek CCG, Teetz J, Landrum GA, Riniker S.
Lehner MT, et al. Among authors: schiebroek ccg.
J Chem Inf Model. 2023 Oct 9;63(19):6014-6028. doi: 10.1021/acs.jcim.3c00800. Epub 2023 Sep 22.
J Chem Inf Model. 2023.
PMID: 37738206
Free PMC article.
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