Superposition of two lysozyme conformations, open (grey) and closed (red)

Lysozyme configurations

Two-dimensional representation of a protein's free energy landscape along its first two backbone PCA modes. The green trajectory traces the path of the system taken during a short molecular dynamics simulation.

Free energy landscape

Superposition of different adenylate kinase conformations, found along a transition path from the closed to the open crystal structure (blue: CORE domain, red: AMPbd, green: LID).

Adenylate kinase

http://www.mpibpc.mpg.de/groups/grubmueller/start/people/mkubitz/index.html