De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep Learning Framework
Leslie A. Salas-Estrada, Davide Provasi, Xing Qiu, H. Ümit Kanıskan, Xi‐Ping Huang, Jeffrey F. DiBerto, João Marcelo Lamim Ribeiro, Jian Jun Jin, Bryan L. Roth, Marta Filizola
This study uses a generative deep learning framework to design new KOR antagonists, which are prioritized for synthesis and validated through experimental assays.
Journal of Chemical Information and Modeling · Aug 9, 2023Peer-reviewedBioinformatics