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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

Dhiman Ray

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Oct 2026

Enhanced Sampling of Ligand Binding Coupled to RNA Base-Flipping Dynamics

Noncoding RNAs have recently emerged as promising targets for therapeutic drugs. However, their high conformational flexibility presents significant challenges in structure-based rational drug discovery. Therefore, it is essential to gain detailed mechanistic insights into the millisecond-time scale ligand recognitio...

Revanth Elangovan, Dhiman Ray · 0 citations
Open access Jul 2026

Conformational landscape of 2-aminopurine-substituted RNA oligonucleotides from machine-learning-driven enhanced sampling

The results show that while 2AP substitution does not significantly alter stacking propensity, it substantially modulates the free energy landscape, leading to a redistribution of populations among stacking modes and supporting the hypothesis that base stacking quenches 2AP fluorescence and promotes dark state formatio...

Revanth Elangovan, Emily Stetson, J. Widom et al. · 0 citations

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