IsoDDE
An end-to-end drug design engine released by Isomorphic Labs that supports protein-ligand structure prediction, binding affinity prediction and hidden pocket discovery.
Timeline (last 90 days)
In February 2026, Isomorphic Labs released the Drug Design Engine (IsoDDE), and a technical report states that its performance on protein-ligand structure prediction is twice that of AlphaFold 3, its binding affinity prediction accuracy is higher than physics-based methods, and its time and cost are far lower than the latter.
IsoDDE can discover cryptic pockets on proteins (hidden binding sites that open only when a drug molecule is present) and simulate protein conformational changes during drug binding.
All Facts (2)
IsoDDE can discover cryptic pockets on proteins (hidden binding sites that open only when a drug molecule is present) and simulate protein conformational changes during drug binding.
50%UnverifiedIn February 2026, Isomorphic Labs released the Drug Design Engine (IsoDDE), and a technical report states that its performance on protein-ligand structure prediction is twice that of AlphaFold 3, its binding affinity prediction accuracy is higher than physics-based methods, and its time and cost are far lower than the latter.
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