NATURE OF DENATURING AGENTS - MONTE-CARLO SIMULATIONS OF BIMOLECULAR COMPLEXES INVOLVING UREA AND N-METHYLACETAMIDE IN AQUEOUS-SOLUTION

被引：9

作者：

PRANATA, J

机构：

[1] Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1995年 / 99卷 / 13期

关键词：

D O I：

10.1021/j100013a066

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Monte Carlo simulations were utilized to investigate the formation of dimers involving urea and N-methylacetamide (NMA) inaqueous solution. The dimers-show much variation in structure, including both singly and doubly hydrogen-bonded as well as stacked configurations, depending on their constitution and intermolecular separation. Relative stabilities of the dimers were found to be urea dimer > mixed dimer > NMA dimer. These results suggest that protein denaturation in the presence of urea involves the participation of aggregates of the denaturant.

引用

页码：4855 / 4859

页数：5

共 41 条

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