Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters
Figure 4
Representative structures of Met-enkephalin obtained by the SAAP-MC simulation at 300 K in water (trajectory 1). The obtained 10,000 structures were analyzed by a structural clustering algorithm using the -means method based on the main-chain RMSD. A distance of the hydrogen bond is given in a unit of Å.
