Based on matrix completion algorithm, we proposed a simple method to recover the missing regions in the X-ray crystal structures using the corresponding nuclear magnetic resonance (NMR) measurement data for the proteins with both X-ray and NMR experimental data deposited in Protein Data Bank (PDB). By selecting 10 test proteins deposited in PDB and comparing with the standard MODELLER results from the root-mean-square deviation and MolProbity aspects, we validated that our method can provide a better protein structure model, which combines both X-ray crystallographic structure data and NMR data together than MODELLER algorithm. This method is particularly useful for building the initial structures in Molecular Dynamics when studying the protein folding process.

中文翻译：

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使用矩阵完成法从核磁共振测量数据中恢复晶体结构的缺失区域。

基于矩阵完成算法，我们提出了一种简单的方法，利用相应的蛋白质核磁共振（NMR）测量数据，并利用存储在Protein Data中的X射线和NMR实验数据，来恢复X射线晶体结构中的缺失区域。银行（PDB）。通过选择10种沉积在PDB中的测试蛋白质并与均方根偏差和MolProbity方面的标准MODELLER结果进行比较，我们验证了我们的方法可以提供更好的蛋白质结构模型，该模型结合了X射线晶体学数据和NMR数据比起MODELLER算法。当研究蛋白质折叠过程时，该方法对于在分子动力学中建立初始结构特别有用。