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Open access Sep 2026

AnewDDE: An Agentic Drug Discovery Engine for Biomolecular Interaction Modelling and Closed-Loop Design

Accurate modelling of biomolecular interactions is fundamental to drug discovery, yet current artificial intelligence (AI) workflows remain fragmented across structure prediction, affinity estimation, molecular design, and experimental decision-making. We introduce AnewDDE, an agentic Drug Discovery Engine that connect...

Kai Liu · 0 citations

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