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

Bartosz Trzaskowski, Abraham F. Jalbout, Ludwik Adamowicz

Research output: Contribution to journalArticlepeer-review

44 Scopus citations


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
Issue number1-3
StatePublished - Oct 19 2006

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes'. Together they form a unique fingerprint.

Cite this