کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9573567 1503987 2005 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relevant distance between two different instances of the same potential energy in protein folding
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Relevant distance between two different instances of the same potential energy in protein folding
چکیده انگلیسی
In the context of complex systems and, particularly, of protein folding, a physically meaningful distance is defined which allows to make useful statistical statements about the way in which energy differences are modified when two different instances of the same potential-energy function are used. When the two instances arise from the fact that different algorithms or different approximations are used, the distance herein defined may be used to evaluate the relative accuracy of the two methods. When the difference is due to a change in the free parameters of which the potential depends on, the distance can be used to quantify, in each region of parameter space, the robustness of the modeling to such a change and this, in turn, may be used to assess the significance of a parameters' fit. Both cases are illustrated with a practical example: the study of the Poisson-based solvation energy in the Trp-Cage protein (PDB code 1L2Y).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Biophysical Chemistry - Volume 115, Issues 2–3, 1 April 2005, Pages 159-168
نویسندگان
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