Salvato in:
| Autore principale: | |
|---|---|
| Natura: | Recurso digital |
| Lingua: | |
| Pubblicazione: |
Zenodo
2024
|
| Accesso online: | https://doi.org/10.5281/zenodo.12510623 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
Sommario:
- <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>