The influence of amino acid side chains on water binding to the copper(II) in bis(N,N-dimethyl-L-α-isoleucinato)-copper(II):: An EPR and molecular mechanics study

被引：0

作者：

Sabolovic, J

Noethig-Laslo, V

机构：

[1] Inst Med Res & Occupat Hlth, Zagreb 10001, Croatia

[2] Rudjer Boskovic Inst, Zagreb 10001, Croatia

来源：

CELLULAR & MOLECULAR BIOLOGY LETTERS | 2002年 / 7卷 / 01期

关键词：

WP-WIN simfonia program; force field; amino acidates;

D O I：

暂无

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：

Simulations were done of the electron paramagnetic resonance (EPR) spectra for bis(NN-dimethyl-L-alpha-isoleucinato)copper(II) dissolved in deuterated methanol as a function of temperature. They indicated different behaviour of the complex below and above 300degreesK. The effect was examined by the conformational analysis of the copper(II) complex with a new molecular mechanics force field.

引用

页码：151 / 153

页数：3

共 3 条

[1] Conformational analysis of bis(L-N,N-dimethylvalinato)copper(II) and bis(L-N,N-dimethylleucinato)copper(II) in different solvents by EPR spectroscopy and a molecular mechanics study
Mirosavljevic, K
Sabolovic, J
Noethig-Laslo, V
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2004, (19) : 3930 - 3937
[2] Molecular Mechanics (MM) Force Fields for Modelling of Copper(II) Amino Acid Complexes in Different Environments
Sabolovic, Jasmina
THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, 2009, 1102 : 193 - 199
[3] Bis(L-N,N-dipropylalaninato)copper(II) -: X-ray crystal structure, the crystal structure prediction and conformational analysis with a new force field
Kaitner, B
Paulic, N
Pavlovic, G
Sabolovic, J
POLYHEDRON, 1999, 18 (17) : 2301 - 2311

← 1 →