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Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer

Loco, Daniele et al.
arXiv (All) · Papers
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biological-physicschemical-physicsquantum-physics
Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle this challenge by performing three-dimensional protein pockets hydration-site prediction on a quantum computer. Formulati
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