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arXiv · 2508.01501

RinQ: Towards predicting central sites in proteins on current quantum computers

Shah Ishmam Mohtashim
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Abstract

We introduce RinQ, a hybrid quantum-classical framework for identifying functionally critical residues in proteins by formulating centrality detection as a Quadratic Unconstrained Binary Optimization (QUBO) problem. Protein structures are modeled as residue interaction networks (RINs), and the QUBO formulations are solved using D-Wave's simulated annealing. Applied to a diverse set of proteins, RinQ consistently identifies central residues that closely align with classical benchmarks, demonstrating both the accuracy and robustness of the approach.

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BibTeXRIS

Shah Ishmam Mohtashim. 2025-08-02. RinQ: Towards predicting central sites in proteins on current quantum computers. https://doi.org/10.1016/j.mtquan.2025.100053

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