Title of article
Molecular modeling of cobalt(II) hyaluronate
Author/Authors
Elizabeta Tratar Pirc، نويسنده , , Jernej Zidar، نويسنده , , Peter Bukovec، نويسنده , , Milan Hodo??ek، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2005
Pages
6
From page
2064
To page
2069
Abstract
Structural data for complexes of hyaluronic acid and 3d metals(II) of the fourth group of the periodic table are lacking. A combined QM/MM method was used to solve the structure of the first coordination sphere around the cobalt(II) ion. Some available experimental data were compared with the results obtained via computation and were found to be in good agreement. Our results open the way for using molecular modeling to solve the structure of other metal(II) hyaluronates.
Keywords
Cobalt(II) hyaluronate , Molecular modeling , EXAFS , QM/MM
Journal title
Carbohydrate Research
Serial Year
2005
Journal title
Carbohydrate Research
Record number
964515
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