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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

Yuxuan Wang

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2 papers indexed here

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Open access Sep 2026

Generative Access to Make-on-Demand Chemical Space Enables Ultra-Large Virtual Screening

Ultra-large-scale virtual screening (ULVS) increasingly relies on make-on-demand chemical spaces, but efficient access to these spaces remains challenging because their scale far exceeds what can be exhaustively enumerated and docked. Here, we present REAL-SWIT, a generative ULVS framework that learns Enamine REAL Spac...

Kai-Yue Zhang, Ying Sun, Xin-Yue Li et al. · 0 citations
Open access Aug 2026

Molecular mechanism of GTPase-activating protein-assisted hydrolysis of GTP catalyzed by Cdc42.

Integrated molecular dynamics simulations and density functional theory calculations demonstrate that GAP binding promotes hydrolysis through a combination of active-site preorganization, enhanced electrostatic interactions with phosphate, and Arg305-assisted stabilization of the Gln61 position and electrostatics.

Kechen Lu, Yihan Liu, Guan-Yi Li et al. · 0 citations

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