Molecular Dynamics Simulations of A27S and K120A Mutated PTP1B Reveals Selective Binding of the Bidentate Inhibitor

Figure 3

Average structures of the top 10 clusters of (a) WT, (b) A27S, and (c) K120A systems. The structure is colored from red to blue, representing the cluster from large to small. The inhibitors are represented in the ball-and-stick model.

(a)

(b)

(c)