Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis. - Rae A. Corrigan Grove; Michael A. Moxley; Christian F. A. Negre; Marc J. Cawkwell; Anders M. N. Niklasson; Susan M. Mniszewski; Nathan Smith; Kevin Prososki; Mark A. Wilson; Michael E. Wall (J. Chem. Inf. Model., 2025)