Global Optimization via a Modified Potential Smoothing Kernel
نویسندگان
چکیده
A new potential smoothing method, the shifted-tophat (or stophat) is presented. This method uses a tophat function as the smoothing kernel, instead of the gaussian used in conventional methods. Stophat smoothing is applied, as part of the Potential Smoothing and Search (PSS) procedure for global optimization, to several biomolecular problems, including polyalanine helices, united-atom and all-atom models of enkephalin, and rigid helices from glycophorin.
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