Simulations of the bis-penicillamine enkephalin in sodium chloride solution: A parameter study

Gail E. Marlow, B. Montgomery Pettitt

Research output: Contribution to journalArticle

9 Scopus citations

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 - Aug 23 2001
Externally publishedYes

Keywords

  • Bis-penicillamine enkephalin
  • Sodium chloride
  • Thermodynamics

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Biomaterials
  • Organic Chemistry

Fingerprint Dive into the research topics of 'Simulations of the bis-penicillamine enkephalin in sodium chloride solution: A parameter study'. Together they form a unique fingerprint.

  • Cite this