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Details of SAPdb ID 1183

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	Physico-Chemical properties
STRUCTURE	Predicted Structure
SMILES	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O