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使用遗传算法对蛋白质的二维核磁共振谱进行顺序归属

Sequential assignment of 2D-NMR spectra of proteins using genetic algorithms.

作者信息

Wehrens R, Lucasius C, Buydens L, Kateman G

机构信息

Catholic University of Nijmegen, The Netherlands.

出版信息

J Chem Inf Comput Sci. 1993 Mar-Apr;33(2):245-51. doi: 10.1021/ci00012a010.

Abstract

The application of genetic algorithms to the problem of the sequential assignment of two-dimensional protein NMR spectra is discussed. The problem is heavily underconstrained since in most cases more patterns are available than amino acid positions, and uncertainties may exist in the preliminary assignments. The results indicate that relatively large amounts of errors may be present in the input data for the genetic algorithm while useful results may still be obtained.

摘要

讨论了遗传算法在二维蛋白质核磁共振谱序列归属问题中的应用。由于在大多数情况下,可用的模式比氨基酸位置多,该问题的约束严重不足,并且在初步归属中可能存在不确定性。结果表明,遗传算法的输入数据中可能存在相对大量的误差,但仍可获得有用的结果。

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