BiophysicsbioRxiv
Physical Interactions Driving the Activation/Inhibition of Calcium/Calmodulin Dependent Protein Kinase II
E. K. Asciutto, S. Pantano, I. J. General
The paper investigates how Ca2+/CaM binding and electrostatic interactions drive the activation/inhibition of CaMKII through molecular dynamics simulations and free energy calculations.
DOI 10.1016/j.jmgm.2021.107875