Simulations of the bis-penicillamine enkephalin in sodium chloride solution

A parameter study

Gail E. Marlow, Bernard Pettitt

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A simulation study of DPDPE in sodium chloride solution has been performed and compared with previous simulations using a different interaction potential for the ions. Both global thermodynamics as well as a characterization of association to DPDPE have been calculated. We show that the parameters used for the ions have a profound effect on the association to the peptide in 1M NaCl. The observed differences suggest that individual associations in these and previous simulations are sensitive to parameters.

Original languageEnglish (US)
Pages (from-to)134-152
Number of pages19
JournalBiopolymers - Peptide Science Section
Volume60
Issue number2
DOIs
StatePublished - 2001
Externally publishedYes

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D-Penicillamine (2,5)-Enkephalin
Sodium chloride
Sodium Chloride
Ions
Thermodynamics
Individuality
Peptides

Keywords

  • Bis-penicillamine enkephalin
  • Sodium chloride
  • Thermodynamics

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Biochemistry
  • Biophysics

Cite this

Simulations of the bis-penicillamine enkephalin in sodium chloride solution : A parameter study. / Marlow, Gail E.; Pettitt, Bernard.

In: Biopolymers - Peptide Science Section, Vol. 60, No. 2, 2001, p. 134-152.

Research output: Contribution to journalArticle

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