Simulation of the bis(penicillamine) enkephalin in ammonium chloride solution: A comparison with sodium chloride

被引：6

作者：

Marlow, GE ^{[1
]}

Pettitt, BM ^{[1
]}

机构：

[1] Univ Houston, Dept Chem, Houston, TX 77204 USA

来源：

BIOPOLYMERS | 2003年 / 68卷 / 02期

关键词：

bis-(penicillamine) enkephalin; thermodynamics of peptide solutions; cations; solvation; peptides in solution; computer simulations;

D O I：

10.1002/bip.10292

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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. (C) 2002 Wiley Periodicals, Inc.

引用

页码：192 / 209

页数：18

共 64 条

[21] THE CONFORMATIONAL PROPERTIES OF THE DELTA-OPIOID PEPTIDE [D-PEN2,D-PEN5]ENKEPHALIN IN AQUEOUS-SOLUTION DETERMINED BY NMR AND ENERGY MINIMIZATION CALCULATIONS [J].