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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.
Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning.
Nippa DF, Atz K, Hohler R, Müller AT, Marx A, Bartelmus C, Wuitschik G, Marzuoli I, Jost V, Wolfard J, Binder M, Stepan AF, Konrad DB, Grether U, Martin RE, Schneider G.
Nippa DF, et al.
Nat Chem. 2024 Feb;16(2):239-248. doi: 10.1038/s41557-023-01360-5. Epub 2023 Nov 23.
Nat Chem. 2024.
PMID: 37996732
Free PMC article.
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Identifying opportunities for late-stage C-H alkylation with high-throughput experimentation and in silico reaction screening.
Nippa DF, Atz K, Müller AT, Wolfard J, Isert C, Binder M, Scheidegger O, Konrad DB, Grether U, Martin RE, Schneider G.
Nippa DF, et al.
Commun Chem. 2023 Nov 20;6(1):256. doi: 10.1038/s42004-023-01047-5.
Commun Chem. 2023.
PMID: 37985850
Free PMC article.
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