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

• URL: http://arxiv.org/abs/2508.01501v2
• Date: Tue, 02 Sep 2025 22:05:52 GMT
• Title: RinQ: Towards predicting central sites in proteins on current quantum computers
• Authors: Shah Ishmam Mohtashim,
• Abstract summary: We introduce RinQ, a hybrid quantum-classical framework for identifying functionally critical residues in proteins.<n>Protein structures are modeled as residue interaction networks (RINs), and the QUBO formulations are solved using D-Wave's simulated annealing.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• 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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