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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

C. de Graaf

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2 papers indexed here

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Review Open access 2023

Editorial overview: Artificial intelligence (AI) methodology in structural biology.

Renal secretion plays an important role in drug excretion from the kidney. Two major transporters known to be highly involved in renal secretion are MATE1/2-K and OCT2, the former of which is highly related to drug-drug interactions. Among published in silico models for MATE inhibitors, a previous model obtained a ROC-...

A. Bender, C. de Graaf, Noel M. O'Boyle · 0 citations
Open access Aug 2026

Residue Interaction Network Reveals Allosteric Pathways Linking Orthosteric and Intracellular Sites in Class A GPCRs

Understanding how allosteric modulators influence protein dynamics is essential for guiding drug design. This work analyses a total of 45 μs of classical molecular dynamics simulations for four class A G-protein-coupled receptors (GPCRs), namely the Complement C5a receptor (C5AR1), the Purinergic Receptor P2Y (P2RY1),...

S. Peter, G. Chalhoub, Peter J. McCormick et al. · 0 citations

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