An Inverse Equilibrium Maximum Entropy Algorithm Applied to Proteins
نویسنده
چکیده
A computational method is developed to work on an inverse equilibrium problem with an interest towards applications with protein folding. In general, we are given a set of equilibrium configurations, and want to derive the most likely potential function that results in these configurations. The method is applied to polymer simulations and a simple model of proteins using protein structures obtained from the Protein Data Bank (http://www.rcsb.org/pdb) The resulting energy function is tested on a few decoy sets with limited success.
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تاریخ انتشار 2003