Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes

Bartosz Trzaskowski, Abraham F. Jalbout, Ludwik Adamowicz

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

In this work, we have explored dynamic properties of two protein-fragment models interacting with single-walled carbon nanotubes using molecular dynamics. We have considered peptides interacting with the outer walls of nanotubes, encapsulated into nanotubes, as well as covalently bound to nanotubes. The results suggest that the confined space of the nanotube and its interactions with peptides stabilizes the structure of biomacromolecules. On the other hand, covalent linking of peptides to nanotubes may lead to a change in the peptide conformation. The general conclusions derived from this work may be of importance in devising nanotube systems for peptide and drug delivery.

Original languageEnglish (US)
Pages (from-to)97-100
Number of pages4
JournalChemical Physics Letters
Volume430
Issue number1-3
DOIs
StatePublished - Oct 19 2006

Fingerprint

Carbon Nanotubes
Nanotubes
Molecular dynamics
nanotubes
peptides
carbon nanotubes
fragments
molecular dynamics
proteins
Peptides
Proteins
Single-walled carbon nanotubes (SWCN)
Drug delivery
dynamic characteristics
Conformations
delivery
drugs

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes. / Trzaskowski, Bartosz; Jalbout, Abraham F.; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 430, No. 1-3, 19.10.2006, p. 97-100.

Research output: Contribution to journalArticle

Trzaskowski, Bartosz ; Jalbout, Abraham F. ; Adamowicz, Ludwik. / Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes. In: Chemical Physics Letters. 2006 ; Vol. 430, No. 1-3. pp. 97-100.
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