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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. Oostenbrink

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Open access Jul 2026

Unveiling the KRAS Relationship between Affinity and Dynamics: A Molecular Simulations Study

Kirsten rat sarcoma virus protein (KRAS) is one of the most important targets in current drug discovery. Its intrinsic properties, including a high structural flexibility and a shallow polar pocket, make KRAS extremely difficult to target. In fact, for a long time it was considered undruggable. A better understanding o...

Nadine Grundschober, Viktorija Dujmovic, C. Oostenbrink et al. · 0 citations
Open access Aug 2026

Buffer Region Embedding for Hybrid Machine-Learned/Molecular-Mechanical Simulations in Complex Environments

The buffer region embedding strategy (BuRNN) is extended for hybrid machine-learned interaction potentials/molecular mechanics (MLIP/MM) simulations in complex environments and is established as a practical approach to perform MLIP/MM simulations in biomolecular systems.

M. Caspary, Radek Crha, Edgar Galicia-Andrés et al. · 0 citations

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