Basin Hopping as a General and Versatile Optimization Framework for the Characterization of Biological Macromolecules
Figure 3
(a and b) The lowest-lRMSD conformation (in opaque red) is superimposed over the known native structure (in transparent blue) for the protein with native PDB ID 2ezk in (a) and 1hhp in (b). (c and d) The distribution of consecutive local minima distances in terms of lRMSD is shown in (c and d) for the two proteins, respectively. (e and f) The distribution of energies obtained by BH is superimposed over that obtained by the multistart method on each of the two proteins.
