AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models

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Authors: Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuss, Gerard J. P. van Westen

Journal title: Journal of Chemical Information and Modeling

Journal number: 64

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 8113-8122

DOI identifier: 10.1021/acs.jcim.4c00309

ISSN: 1549-9596