Application of Maximum Entropy principle to modeling torsion angle probability distribution in proteins
نویسندگان
چکیده
Using the Maximum Entropy principle, we find probability distribution of torsion angles in proteins. We estimate parameters of this distribution numerically, by implementing the conjugate gradient method in Polak-Ribiere variant [6]. We investigate practical approximations of the theoretical distribution. We discuss the information content of these approximations and compare them with standard histogram method. Our data are pairs of main chain torsion angles for a selected subset of high resolution non-homologous protein structures from Protein Data Bank [7].
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