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Simulation of the bis‐(penicillamine) enkephalin in ammonium chloride solution: A comparison with sodium chloride
Author(s) -
Marlow Gail E.,
Pettitt B. Montgomery
Publication year - 2003
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.10292
Subject(s) - chemistry , aqueous solution , sodium , ammonium chloride , solvation , inorganic chemistry , enkephalin , chloride , ion , ammonium , organic chemistry , biochemistry , receptor , opioid
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. © 2003 Wiley Periodicals, Inc. Biopolymers 68: 192–209, 2003