Details of SAPdb ID 1183 |
Primary information | ||
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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 |
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STRUCTURE |
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SMILES | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |