Abstract
In order to quantify specific ion effects, a simulation study of bis(penicllamine) enkephalin, also known as DPDPE, has been performed in aqueous ammonium chloride solution and has been compared to a previous simulation of DPDPE in aqueous sodium chloride solution. Global thermodynamics have been calculated for a model system and the solution environment around DPDPE has been characterized. Associations of ions with DPDPE have been investigated. The observed differences between sodium chloride solution and ammonium chloride solution suggest that individual cations affect the solvation and peptide binding properties of a given anion.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 192-209 |
| Number of pages | 18 |
| Journal | Biopolymers |
| Volume | 68 |
| Issue number | 2 |
| DOIs | |
| State | Published - Feb 2003 |
| Externally published | Yes |
Keywords
- Bis-(penicillamine) enkephalin
- Cations
- Computer simulations
- Peptides in solution
- Solvation
- Thermodynamics of peptide solutions
ASJC Scopus subject areas
- Biophysics
- Biochemistry
- Biomaterials
- Organic Chemistry