کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
502911 | 863729 | 2008 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The HP model of protein folding: A challenging testing ground for Wang–Landau sampling
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The hydrophobic-polar (HP) lattice protein model has gained much attention as a standard in assessing the efficiency of computational methods for protein structure prediction as well as for exploring the statistical physics of protein folding. In this work we show that Wang–Landau sampling, in connection with a suitable move set (pull moves), provides a powerful route for both the search of global energy minimum conformations and the precise determination of the density of states for HP sequences with up to 100 monomers in two and three dimensions. The main advantage of our approach lies in its general applicability to a broad range of lattice protein models that go beyond the scope of the HP model.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 179, Issues 1–3, July 2008, Pages 124–127
Journal: Computer Physics Communications - Volume 179, Issues 1–3, July 2008, Pages 124–127
نویسندگان
T. Wüst, D.P. Landau,