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 language | English (US) |
|---|---|
| Pages (from-to) | 134-152 |
| Number of pages | 19 |
| Journal | Biopolymers |
| Volume | 60 |
| Issue number | 2 |
| DOIs | |
| State | Published - 2001 |
| Externally published | Yes |
Keywords
- Bis-penicillamine enkephalin
- Sodium chloride
- Thermodynamics
ASJC Scopus subject areas
- Biophysics
- Biochemistry
- Biomaterials
- Organic Chemistry
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