Details of SAPdb ID 1255 |
| Primary information | ||
|---|---|---|
| SAPdb_ID | 1255 | |
| 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: 120mg/mL | |
| Concentration | 120 mg/ml | |
| pH | NA | |
| Temperature | 37°C | |
| Incubation Period | 60 - 1200 nanoseconds | |
| Self-Assembly Formation | Yes | |
| Type of Self-Assembly | vesicle (in 3/10 MD runs); Nanotube ( in 3/10 MD runs); Flat bialyer with holes shape (in 4/10 MD runs) | |
| Size of Self-Assembled structure | Diameter of vesicle : 9.2 nm | |
| Linear/Cyclic | Linear | |
| Stability of Nanostructure | NA | |
| Comment | NA | |
| Secondary information | ||
| Physico-Chemical properties |
| |
| STRUCTURE |
| |
| SMILES | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O | |