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