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October 06, 2025 article Open access

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis

Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c01152 Full text (OA) OpenAlex

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