Skip to main content
. 2011 Oct 28;6(10):e26301. doi: 10.1371/journal.pone.0026301

Figure 8. Iterative application of hydrogen bonds derived restrains improves simulation results.

Figure 8

The example of 1kj2 CDR3α in sequential loop modeling demonstrates for the complete set of 2000 conformers (A) increased number of hydrogen bonds sampled with larger proportion of interactions present in the reference crystal and decreased mean RMSD at each iteration. (B) Statistics of the best conformers at each iteration. Three iterations were sufficient to obtain optimal results.