| Primary information |
|---|
| SAPdb_ID | 1183 |
| PMID | 24468750 |
| Year | 2014 |
| Name | Triphenylalanine |
| Sequence | FFF |
| N-Terminal Modification | Free |
| C-Terminal Modification | Free |
| Non-terminal Modication | None |
| Length | 3 |
| Peptide/Conjugate/Mixture | Peptide |
| Conjugate Partner | None |
| Technique | Insilico method: MARTINI coarse - grained molecular dynamic |
| Solvent | Water |
| Method | Simulation of a system consisting of 600 FFF peptides and 24 442 water beads in a cubic box of 15.5 nm (corresponding to a peptide concentration of 120 mg/ml with the CG molecular dynamics simulations, using the MARTINI V2.1 force field. Ten 900 ns MD runs have been performed using different initial velocities starting from a state in which the peptides were placed randomly in the water box. |
| Concentration | 120 mg/ml |
| pH | NA |
Temperature
| 37°C |
| Incubation Period | 600- 900 ns (nanoseconds) |
| Self-Assembly Formation | Yes |
| Type of Self-Assembly | Nanospheres (in seven out of ten trajectories), Nanorods ( in the 3 out of 10 trajectories) |
| Size of Self-Assembled structure | NA |
| 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)N[C@@H](Cc1ccccc1)C=O |
