BioinformaticsCellPeer-reviewed
Atom-level generative foundation model for molecular interaction with pockets
Xingang Peng, Ruihan Guo, Fenglin Guo…·Jianzhu Ma
This paper introduces PocketXMol, a generative foundation model for molecular interactions with protein pockets, achieving state-of-the-art performance in 11 tasks and demonstrating success in designing inhibitors and peptides.
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