Reactive Quantum-Mechanical Molecular Dynamics Simulations to Reveal Mechanisms of Enzyme Catalysis

Rae Corrigan(Los Alamos National Laboratory), Michael E. Wall(Los Alamos National Laboratory), Mark A. Wilson(University of Nebraska–Lincoln), M. J. Cawkwell(Los Alamos National Laboratory), Anders M. N. Niklasson(Uppsala University), Christian F. A. Negre(Los Alamos National Laboratory), Michael A. Moxley(Saint Louis University), Kevin Prososki(University of Nebraska–Lincoln), Susan M. Mniszewski(Los Alamos National Laboratory)
ChemRxiv
February 19, 2025
Cited by 0


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