biorxiv.org

Leveraging AI and structural proteomics for rational design of a KAT6A degrader (opens in new tab)

While targeted protein degraders such as PROTACs are a clinically proven therapeutic strategy, the discovery of novel degraders remains hampered by trial-and-error process. To address this challenge, we developed the AIMSTM platform, which combines structural proteomics with AI models for rational PROTAC design. AIMSTM is an end-to-end toolkit for PROTAC optimization, encompassing structure solving using proteomics and AI, prediction of ADME and degradation properties, and prospective ranking...

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