De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework

Leslie Salas-Estrada, Davide Provasi, Xing Qiu, Husnu Ümit Kaniskan, Xi-Ping Huang, Jeffrey F. Diberto, João Marcelo Lamim Ribeiro, Jian Jin, Bryan L. Roth, Marta Filizola. De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. Journal of Chemical Information and Computer Sciences, 63(16):5056-5065, August 2023. [doi]

Abstract

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