In molecular dynamics simulations, Zadaxin was encapsulated inside a carbon nanotube after spontaneous insertion and oscillated around the tube centre, where the van der Waals interaction energy was lowest.
In plain wordsIn computer simulations, the peptide moved into a carbon nanotube by itself and stayed near its centre.
- Peptide
- Thymosin alpha-1
- Outcome
- Not applicableEncapsulation of Zadaxin inside a carbon nanotube
- Study
n: not reported in source
molecular dynamics simulation of Zadaxin in carbon nanotubes- Outcome group
- Formulation, delivery and stability · Pharmacology
Source sentences
In the molecular dynamics (MD) simulations, the protein/peptide molecule Zadaxin is observed to be encapsulated inside the nanotube after its spontaneous insertion and oscillates around the center of the tube, where the van der Waals interaction energy is observed to be a minimum.
1 context sentence(design, population, supporting numbers)
This work focuses on the dynamic properties and energetics of the protein/peptide drug during its transport through carbon nanotubes (CNTs).
In this study, Thymosin alpha-1 was a lab tool or a carrier, part of a mix, or the subject of a lab method. This result is not evidence about taking Thymosin alpha-1.