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

Bartosz Trzaskowski, Abraham F. Jalbout, Ludwik Adamowicz

Research output: Contribution to journalArticle

42 Scopus citations

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

ASJC Scopus subject areas

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

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