Saved in:
| Main Author: | |
|---|---|
| Format: | Recurso digital |
| Language: | |
| Published: |
Zenodo
2024
|
| Online Access: | https://doi.org/10.5281/zenodo.12510623 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866901175192780800 |
|---|---|
| author | Moyer, Adam |
| author_facet | Moyer, Adam |
| contents | <p><strong>From the paper: "Enumerative Discovery of Non-Canonical Polypeptide Secondary Structures"</strong></p> <p><strong>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.</strong></p> <p><strong>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.</strong></p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_12510623 |
| institution | Zenodo |
| language | |
| publishDate | 2024 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Enumerative Discovery of Noncanonical Polypeptide Secondary Structures Moyer, Adam <p><strong>From the paper: "Enumerative Discovery of Non-Canonical Polypeptide Secondary Structures"</strong></p> <p><strong>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.</strong></p> <p><strong>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.</strong></p> |
| title | Enumerative Discovery of Noncanonical Polypeptide Secondary Structures |
| url | https://doi.org/10.5281/zenodo.12510623 |