کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
503026 | 863736 | 2011 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Monte Carlo simulations of the HP model (the “Ising model” of protein folding)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Monte Carlo simulations of the HP model (the “Ising model” of protein folding) Monte Carlo simulations of the HP model (the “Ising model” of protein folding)](/preview/png/503026.png)
چکیده انگلیسی
Using Wang–Landau sampling with suitable Monte Carlo trial moves (pull moves and bond-rebridging moves combined) we have determined the density of states and thermodynamic properties for a short sequence of the HP protein model. For free chains these proteins are known to first undergo a collapse “transition” to a globule state followed by a second “transition” into a native state. When placed in the proximity of an attractive surface, there is a competition between surface adsorption and folding that leads to an intriguing sequence of “transitions”. These transitions depend upon the relative interaction strengths and are largely inaccessible to “standard” Monte Carlo methods.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 182, Issue 9, September 2011, Pages 1896–1899
Journal: Computer Physics Communications - Volume 182, Issue 9, September 2011, Pages 1896–1899
نویسندگان
Ying Wai Li, Thomas Wüst, David P. Landau,