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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

Robert Abel

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Open access Oct 2026

Accelerating Lead Optimization Away from Anti-Targets: Navigating the Structural Complexity of Promiscuous ADMET Proteins

The development of a small molecule suitable for clinical use involves optimization of ligand binding to an identified target protein but also frequently the reduction of binding to a variety of anti-target proteins known to pose translational risk. These anti-targets, often referred to as ADMET proteins, often conta...

Howook Hwang, Mee Y. Shelley, Andrew T. Placzek et al. · 0 citations
Jul 2026

Identifying Cryptic Binding Sites with Mixed Solvent MD Simulation and SiteMap

A novel "induce-and-identify" workflow that integrates mixed solvent molecular dynamics simulations with SiteMap is developed and validated, enabling the exploration of a broader range of druggable targets by effectively inducing and identifying cryptic binding sites.

Da Shi, Dmitry Lupyan, Steven V. Jerome et al. · 0 citations

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