Multiscale Coarse-Graining of the Protein Energy Landscape
Figure 9
Conformational transition in AdK expressed as the difference in RMSD from the open and closed states.
Simulations starting from the open structure (black circles), ΔDRMSD = −7 Å, are seen to partly converge toward simulations starting from the closed structure (gray trace), ΔDRMSD = +7 Å.