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Binding of a ligand on a protein changes the flexibility of certain parts ofthe protein, which directly affects its function. These changes are not thesame at each point, some parts become more flexible and some others becomestiffer. Here, an equation is derived that gives the stiffness map forproteins. The model is based on correlations of fluctuations of pairs of pointsthat need to be evaluated by molecular dynamics simulations. The model is alsocast in terms of the Gaussian Network Model and changes of stiffness upondimerization of AKT1 are evaluated as an example.

Effects of ligand binding upon flexibility of proteins