Enhanced Bio-Catalytic Efficiency in Non-Natural Amino Acid-Incorporated Protein Matrices via Adaptive Quantum-Inspired Cascade Optimization (AQCO)

**Abstract:** This paper introduces Adaptive Quantum-Inspired Cascade Optimization (AQCO), a novel computational framework for maximizing catalytic efficiency within protein matrices incorporating non-natural amino acids (NNAAs). Utilizing a multi-layered evaluation pipeline and a dynamic hyper-scoring system, AQCO autonomously explores vast design spaces, identifying optimal NNAA sequences and structural modifications to enhance catalytic activity. The proposed methodology leverages established computational techniques like Protein Folding Simulation and Quantum-Inspired Optimization algorithms, demonstrably exceeding benchmark results in simulated catalytic reactions across multiple sub-fields within the broader area of non-natural amino acid-based biomaterials. The system is fully practical, offering a scalable solution for *in silico* catalyst design, with an anticipated 5-year transition to commercial applications.

Institutions

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-08-14
DOI
https://doi.org/10.5281/zenodo.16876066
Primary Topic
Protein Structure and Dynamics
Type
article
Field-Weighted Citation Impact
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article

Enhanced Bio-Catalytic Efficiency in Non-Natural Amino Acid-Incorporated Protein Matrices via Adaptive Quantum-Inspired Cascade Optimization (AQCO)

Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
article

Enhanced Bio-Catalytic Efficiency in Non-Natural Amino Acid-Incorporated Protein Matrices via Adaptive Quantum-Inspired Cascade Optimization (AQCO)

article en

Abstract

**Abstract:** This paper introduces Adaptive Quantum-Inspired Cascade Optimization (AQCO), a novel computational framework for maximizing catalytic efficiency within protein matrices incorporating non-natural amino acids (NNAAs). Utilizing a multi-layered evaluation pipeline and a dynamic hyper-scoring system, AQCO autonomously explores vast design spaces, identifying optimal NNAA sequences and structural modifications to enhance catalytic activity. The proposed methodology leverages established computational techniques like Protein Folding Simulation and Quantum-Inspired Optimization algorithms, demonstrably exceeding benchmark results in simulated catalytic reactions across multiple sub-fields within the broader area of non-natural amino acid-based biomaterials. The system is fully practical, offering a scalable solution for *in silico* catalyst design, with an anticipated 5-year transition to commercial applications.

Zenodo (CERN European Organization for Nuclear Research)
Freed–Hardeman University (US)
Openalex Percentile: Top 61%
Protein Structure and Dynamics
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