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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

Marco De Vivo

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Open access Sep 2026

Torsionator: Dihedral Parameterization and Conformer Search Made Easy

Neural network potentials (NNPs), trained on quantum mechanical (QM) data, can deliver near QM-level accuracy while being much faster than QM calculations. In this work, we introduce a new software tool, Torsionator, which currently supports MACE, OBIWAN, and UMA NNPs for energy minimization of small molecules. Torsi...

Giorgia Brosio, Alice Triveri, Pietro Vidossich et al. · 0 citations
Open access Jul 2026

Atomistic Simulations Decode the Mechanisms of DNA and RNA Processing Enzymes: Function through Motion

Conspectus Enzymes and nucleic acid processing machines are among the most sophisticated molecules evolved by nature. These include several vital enzymes such as polymerases, nucleases, topoisomerases, and RNA enzymes. These enzymes exhibit complex structures and multicomponent assemblies that enable an exceptional eff...

Marco De Vivo · 0 citations

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