Sep 2026· Zenodo (CERN European Organization for Nuclear Research)
Protein Structure and Dynamics
Abstract
Protein folding is a fundamental biological process, and achieving accurate and stable folding is critical for protein function. Current methods often struggle to preserve the intricate network of interactions within the protein structure, leading to misfolded proteins and disease. This paper introduces a novel Dynamic Evolutionary Algorithm (DEA) specifically designed to prioritize protein topology preservation during folding. We propose a fitness function that directly rewards the algorithm for maintaining structural integrity, addressing the limitations of existing approaches. The algorithm incorporates topology information through a novel representation and leverages evolutionary strategies to iteratively refine the protein's structure towards a stable and functional conformation. We demonstrate the effectiveness of the proposed algorithm through simulations and analysis of protein folding pathways, showcasing a significant improvement in structural fidelity compared to conventional methods.
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