Quantum Computing Applied to Protein–Ligand Binding Energy Calculations for Drug Discovery
We analyzed the performance of quantum algorithms for studying protein–ligand systems, using both simulator and real hardware. To achieve this, we selected thrombin and 5 ligands as a test case and...
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Nature research paper: Zero-shot design of drug-binding proteins via neural iterative selection−expansion
Nature research paper: Zero-shot design of drug-binding proteins via neural iterative selection−expansion
Nature research paper: Zero-shot design of drug-binding proteins via neural iterative selection−expansion
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Zero-shot design of drug-binding proteins via neural iterative selection−expansion
Zero-shot design of drug-binding proteins via neural iterative selection−expansion
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