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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

A. Ciancetta

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Open access Sep 2026

Mapping the N/OFQ(1−13)-NH2 Address Domain to Identify G Protein-Biased NOP Receptor Agonists

The nociceptin/orphanin FQ peptide receptor (NOP) couples to G proteins and β-arrestins, but how the peptide address domain influences transducer preference remains unclear. We synthesized ninety N/OFQ(1−13)-NH2 analogues with acylated lysine-based or related non-natural residues at positions 5−13 and evaluated NOP−G...

Giulio Meneguzzo, Erika Morrone, Daniele Scarpa et al. · 0 citations
Open access Jul 2026

Fully Automatable Relative Binding Free Energy Calculations with Enhanced Sampling Using FAST/MBAR

This work extends FAST to AFE calculations with and without enhanced sampling of a particular degree of freedom of interest (FAST/MBAR) and shows that enhanced sampling significantly increases the mobility of the targeted degree of freedom at the cost of reduced sampling efficiency over λ space.

Miroslav Suruzhon, Justina Ratkeviciute, Khaled Abdel-Maksoud et al. · 0 citations
#protein folding Open access Aug 2026

Not Quite Folded: Challenges in Predicting the hNPS‐hNPSR‐Ile107 Complex With AlphaFold2 Multimer

The model showing higher stability in molecular dynamics simulations and consistency with known structure–activity relationships served as template to design novel hNPS analogues, which revealed the model's inability to capture hNPS bioactive conformation, as most analogues were inactive as agonists.

Valentina Albanese, M. Argentieri, Federica Agosta et al. · 0 citations

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