Author

Si-Yi Wang

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Open access Jul 2026

AI-assisted fragment-based drug discovery of SARS-CoV-2 macrodomain binders validated by NMR and X-ray crystallography.

This study demonstrates the advantages of integrating AI with FBDD to streamline molecular design, providing a data-driven framework for discovering new Mac1 inhibitors and guiding future antiviral drug development.

Elnaz Aledavood, Sandra Ramos-Inza, Jannis Born et al. · Communications Chemistry · 0 citations