Hydroxide Once or Twice? A combined Neutron Crystallographic and Quantum Chemical Study of the Hydride Shift in D-Xylose Isomerase
Matt Challacombe, Nicolas Bock, Paul Langan, Andrey Kovalevsky
The paper investigates the hydride shift mechanism of D-Xylose Isomerase using quantum chemical calculations and neutron crystallography, identifying key stabilization steps and reaction pathways.
bioRxiv · Dec 23, 2015 · Preprint