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Highly precise protein-protein interaction prediction based on consensus between template-based and de novo docking methods

机译:基于模板对接和从头对接方法的共识的高精度蛋白质相互作用预测

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Background Elucidation of protein-protein interaction (PPI) networks is important for understanding disease mechanisms and for drug discovery. Tertiary-structure-based in silico PPI prediction methods have been developed with two typical approaches: a method based on template matching with known protein structures and a method based on de novo protein docking. However, the template-based method has a narrow applicable range because of its use of template information, and the de novo docking based method does not have good prediction performance. In addition, both of these in silico prediction methods have insufficient precision, and require validation of the predicted PPIs by biological experiments, leading to considerable expenditure; therefore, PPI prediction methods with greater precision are needed.
机译:背景技术阐明蛋白质间相互作用(PPI)网络对于理解疾病机理和药物发现很重要。基于三级结构的计算机PPI预测方法已通过两种典型方法开发:基于与已知蛋白质结构匹配的模板的方法以及基于从头蛋白质对接的方法。但是,基于模板的方法由于使用模板信息而具有较窄的适用范围,并且基于从头对接的方法不具有良好的预测性能。另外,这两种计算机模拟预测方法都不够精确,并且需要通过生物学实验来验证预测的PPI,从而导致相当大的支出。因此,需要更高精度的PPI预测方法。

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