کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
978312 933271 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Temperature random walk sampling of protein configurations
موضوعات مرتبط
مهندسی و علوم پایه ریاضیات فیزیک ریاضی
پیش نمایش صفحه اول مقاله
Temperature random walk sampling of protein configurations
چکیده انگلیسی

We study generalizations of parallel tempering, also known as replica exchange method, that aim at maximizing the sampling of independent low energy configurations through enforcing random walks in temperature (or other control variables). The advantage of these techniques is the easily tunable high acceptance rate for replica exchange. Simulating the villin headpiece HP-36, we evaluate the efficiency of our techniques, and present criteria for its tuning.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica A: Statistical Mechanics and its Applications - Volume 389, Issue 7, 1 April 2010, Pages 1400–1404
نویسندگان
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