Decipher the Mechanisms of Protein Conformational Changes Induced by Nucleotide Binding through Free-Energy Landscape Analysis: ATP Binding to Hsp70
Figure 8
Dihedral principal component analysis applied to MD simulations of ATP-bound DnaK.
FES computed for the MD run ATP1. Minima are shown with gray (green for the most probable one) diamonds and the isolines (black lines) are drawn every kBT unit. The color scale for the free-energy is in kBT units.