Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations. - Federico A. Olivieri; Osvaldo Burastero; Salvador I. Drusin; Lucas A. Defelipe; Diana E. Wetzler; Adrian Gustavo Turjanski; Marcelo A. Marti (J. Chem. Inf. Model., 2020)