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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

S. B. Ozkan

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Open access Oct 2026

SMartini: automated small molecule parametrization for Martini 3 force field

We present SMartini, an automated pipeline for deriving Martini 3 coarse-grained force-field parameters for arbitrary small molecules. Starting from a molecular structure or a SMILES string, the pipeline maps the all-atom molecule onto a coarse-grained bead representation and automatically fits both bonded and non-bond...

Danis Yangaliev, S. B. Ozkan · 0 citations
Open access Aug 2026

Entanglement-based continuum conformational landscape of proteins

This work introduces mathematical topology metrics that quantify the entanglement complexity of a tertiary protein structure while respecting uncrossability constraints and results indicate that these metrics efficiently encode structural features linked to protein function and provide a more informative description th...

P. Malatesta, Roshita S. Chandnani, J. Yalim et al. · 0 citations

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