Figure 3
From: Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase
FESs associated with the conformational transition pathway of AK.
Isosurfaces are shown each 2.5 kJ/mol. a) The FES as a function of the LID path CVs s(R) and z(R) (see Methods for details). b) The FES as a function of the NMP path CVs s(R) and z(R) (see Methods for details). To give an impression of the motion we superimposed different frames from the lowest free-energy paths for LID (a) and NMP (b). The LID and NMP domains are depicted in green and yellow, respectively.
