Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis
结合反应量子力学分子动力学模拟、诱变、晶体学和酶动力学,揭示异氰化物水合酶催化的可能步骤
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.5c01152
Corrigan Grove, Rae A; Moxley, Michael A; Negre, Christian F A; Cawkwell, Marc J; Niklasson, Anders M N; Mniszewski, Susan M; Smith, Nathan; Prososki, Kevin; Wilson, Mark A; Wall, Michael E