Skip to main content


Figure 4 | BMC Structural Biology

Figure 4

From: Prediction of structural stability of short beta-hairpin peptides by molecular dynamics and knowledge-based potentials

Figure 4

Sensitivity of the MD based stability estimate to the temperature and RMSDall-atoms threshold. The correlations between the median structure persistencies and the experimentally measured stabilities are plotted against the threshold at two temperatures (288°K and 308°K) and for two peptide families (TrpZip and bhpW). The lower temperature was selected for further analysis as it shows higher and more stable correlation. The chosen threshold, 2.6Å, is in the middle of an almost constant correlation region.

Back to article page