کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5372425 1388879 2006 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Topological and dynamical properties of Azurin anchored to a gold substrate as investigated by molecular dynamics simulation
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Topological and dynamical properties of Azurin anchored to a gold substrate as investigated by molecular dynamics simulation
چکیده انگلیسی

A classical molecular dynamics study of the electron transfer protein azurin, covalently bound to a gold substrate through its native disulphide group, is carried out at full hydration. With the aim of investigating the effects on the protein structure and dynamics as induced by the presence of an electric field, simulations are performed on neutral, positively and negatively charged substrates. A number of parameters, such as the average structure, the root mean square deviations and fluctuations, the intraprotein hydrogen bonds and solvent accessible surface of the protein, are monitored during 10 ns of run. The orientation, the height and the lateral size of the protein, with respect to the substrate are evaluated and compared with the experimental data obtained by scanning probe nanoscopies. The electron transfer properties between the copper redox center and the disulphide bridge bound to the substrate are investigated and briefly discussed.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Biophysical Chemistry - Volume 122, Issue 3, 1 August 2006, Pages 206-214
نویسندگان
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