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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Alexander D. MacKerell

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2 papers indexed here

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Open access Aug 2026

Structure of an inhibitor bound to the catalytically important divalent metal ion site of afRioK1.

Rio Kinase 1 (RioK1) is an anti-cancer target for colorectal cancer. In pursuit of selective inhibitors of RioK1, small drug-like molecules were identified using computer-aided drug design (CADD). CADD made use of a 3D crystal structure of human RioK1 bound to ADP/Mg2+ and a fragment-based computational method termed S...

Daniel A Hunter, Wenbo Yu, Purushottamachar Puranik et al. · 0 citations
Open access Sep 2026

Docking-score landscapes shape active-learning performance across Vina, Glide, and SILCS

The rapid expansion of large chemical libraries has created a need for virtual screening workflows that are both efficient and accurate. Active learning (AL) offers a scalable strategy by iteratively training surrogate models to prioritize promising compounds and reduce the number of required docking calculations. Howe...

Joseph Chung, Aashish Bhatt, Jacob Ede Levine et al. · 0 citations

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