| Primary information |
|---|
| SAPdb_ID | 1254 |
| PMID | 22468743 |
| Year | 2012 |
| Name | Diphenylalanine |
| Sequence | FF |
| N-Terminal Modification | Free |
| C-Terminal Modification | Free |
| Non-terminal Modication | None |
| Length | 2 |
| Peptide/Conjugate/Mixture | Peptide |
| Conjugate Partner | NA |
| Technique | Insilico tools i.e, Coarse - grained molecular dynamics (MD) simulations and GROMACS software |
| Solvent | Water |
| Method | 40 MD simulations performed on a system consisting of 600 FF peptides at peptide concentrations: 85mg/mL |
| Concentration | 85 mg/ml |
| pH | NA |
Temperature
| 37°C |
| Incubation Period | 60 - 1200 nanoseconds |
| Self-Assembly Formation | Yes |
| Type of Self-Assembly | Spherical vesicle ( in 7/10 MD runs); Nanotube (in 2/10 MD runs); Bialyer shape (in 1/10 MD runs) |
| Size of Self-Assembled structure | Diameter of vesicle : 9.2 nm; Diameter of nanotube : ∼5.1 to ∼5.6 nm |
| Linear/Cyclic | Linear |
| Stability of Nanostructure | Stable |
| Comment | NA |
| Secondary information |
|---|
| Physico-Chemical properties | |
| STRUCTURE | |
| SMILES | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |
