Enumerative Discovery of Noncanonical Polypeptide Secondary Structures

From the paper: "Enumerative Discovery of Non-Canonical Polypeptide Secondary Structures" The following is provided: 1) Lowest energy PDB files and 2) CSV files/figures of the delta energy vs RMSD for all 20,475 calculated sequences. A set of the most promising 918 designs are provided as inspiration for future investigations. A significant false positive rate, similar to this study, should be expected from these designs. The two populations are provided as seperate directories. Energies are in units of kcal/mol/residue. All polymer models are 8 residues. The AIMNet(SMD)-D4 scorefunction was used to evaluate the energies.