Structure and aggregation of a helix-forming polymer

James E. Magee, Zhankai Song, Robin A. Curtis, L. Lue

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between intermolecular and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.
LanguageEnglish
Article number144911
Number of pages9
JournalJournal of Chemical Physics
Volume126
Issue number14
DOIs
Publication statusPublished - 14 Apr 2007

Fingerprint

helices
proximity
Polymers
Agglomeration
Molecules
globules
polymers
promotion
molecules
simulation
interactions

Keywords

  • polymer structure
  • molecular biophysics
  • intermolecular forces
  • aggregation

Cite this

Magee, James E. ; Song, Zhankai ; Curtis, Robin A. ; Lue, L. / Structure and aggregation of a helix-forming polymer. In: Journal of Chemical Physics. 2007 ; Vol. 126, No. 14.
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Structure and aggregation of a helix-forming polymer. / Magee, James E.; Song, Zhankai; Curtis, Robin A.; Lue, L.

In: Journal of Chemical Physics, Vol. 126, No. 14, 144911, 14.04.2007.

Research output: Contribution to journalArticle

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AU - Magee, James E.

AU - Song, Zhankai

AU - Curtis, Robin A.

AU - Lue, L.

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AB - We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between intermolecular and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.

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KW - molecular biophysics

KW - intermolecular forces

KW - aggregation

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