@misc{indiciaeb5f8760b18c8, title = {Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis}, author = {Corrigan Grove, Rae Ann [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000336289347) and Moxley, Michael A. [Univ. of Nebraska, Kearney, NE (United States)] and Negre, Christian Francisco Andres [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000157200255) and Cawkwell, Marc Jon [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000289193368) and Niklasson, Anders Mauritz N. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000318564982) and Mniszewski, Susan M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:0000000200770537) and Smith, Nathan [Univ. of Nebraska, Lincoln, NE (United States)] and Prososki, Kevin [Univ. of Nebraska, Lincoln, NE (United States)] and Wilson, Mark A. [Univ. of Nebraska, Lincoln, NE (United States)] (ORCID:000000016317900X) and Wall, Michael E. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)] (ORCID:000000031000688X)}, year = {2025}, doi = {10.1021/acs.jcim.5c01152}, url = {https://www.osti.gov/biblio/2998238}, note = {Source identifier: 2998238} }