Molecular dynamics simulations of isoleucine-release pathway in GAF domain of N-CodY from Bacillus Subtilis
Isoleucine-release pathway from GAF domain of N-CodY is proposed based on the MD results. The conformational changes are observed during isoleucine release from the binding pocket. The results from FPMD simulations further determine the ligand releasing pathway.
molecular dynamics simulations gaf domain n-cody bacillus subtilis force probe molecular dynamics