Is the Conformational Ensemble of Alzheimer’s Aβ10-40 Peptide Force Field Dependent?
Fig 6
Aβ radius of gyration in different force fields.
Probability distributions, P(Rg), for the radius of gyration Rg of Aβ10-40 peptide computed for five force fields. Vertical bars represent sampling errors. The plots show that, in contrast to C36, C36s, and C22cmap force fields, C22* and OPLS-AA predict collapsed peptide structures.