A dataset of 55 protein fragments predicted on IBM quantum hardware via VQE, claimed to outperform AlphaFold2/3 in RMSD and docking affinity, with an underspecified and possibly unfair comparison.
Anatomy of protein pockets and cavities: mea- surement of binding site geometry and implications for ligand design.Protein science, 7(9):1884–1897, 1998
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QDockBank: A Dataset for Ligand Docking on Protein Fragments Predicted on Utility-Level Quantum Computers
A dataset of 55 protein fragments predicted on IBM quantum hardware via VQE, claimed to outperform AlphaFold2/3 in RMSD and docking affinity, with an underspecified and possibly unfair comparison.