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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

Charles L. Brooks

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Open access Sep 2026

Leveraging latent space models for enzyme discovery and sampling

A variational autoencoder (VAE)-based model is developed that enables more precise clustering of enzymes and identifies functional relationships that traditional tools miss, demonstrating its potential to accelerate enzyme discovery for diverse biocatalytic applications.

Chang-Hwa Chiang, Daniel Ong, A. Narayan et al. · 0 citations
Open access Jul 2026

Surface electrostatic networks control hydrophobic core remodeling in a pH-dependent switching protein

How binding of ∼1.5 net protons alters electrostatic interactions involving ionizable residues distributed across much of the protein surface is uncovered, revealing how communication between surface ionizable residues and the hydrophobic core is mediated by extensive interaction networks that reorganize in response to...

Iain M.H. McDonald, L. B. Socas, Max Walton-Raaby et al. · 0 citations
Jul 2026

Real-World Assessment of Machine-Learned Docking Using Bioassay-Derived Benchmarks

This work systematically evaluates the performance of a popular ML-based docking method, DiffDock-Pocket, on high-throughput screening (HTS) data sets derived from the PubChem BioAssay database, a premier source of bioactivity data.

Furyal Ahmed, M. Soellner, Charles L. Brooks · 0 citations

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