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Mollack: a web server for the automated creation of conformational ensembles for intrinsically disordered proteins

机译:Mollack:用于自动创建固有无序蛋白构象合奏的Web服务器

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Intrinsically disordered proteins (IDPs) play central roles in many biological processes. Consequently, an accurate description of the disordered state is an important step towards a comprehensive understanding of a number of important biological functions. In this work we describe a new web server, Mollack, for the automated construction of unfolded ensembles that uses both experimental and molecular simulation data to construct models for the unfolded state. An important aspect of the method is that it calculates a quantitative estimate of the uncertainty in the constructed ensemble, thereby providing an objective measure of the quality of the final model. Overall, Mollack facilitates structure-function studies of disordered proteins.
机译:内在无序蛋白(IDP)在许多生物学过程中起着核心作用。因此,对无序状态的准确描述是全面了解许多重要生物学功能的重要一步。在这项工作中,我们描述了一种新的Web服务器Mollack,用于自动构建展开的合奏,该组合使用实验数据和分子模拟数据来构建展开状态的模型。该方法的一个重要方面是,它计算出所构建集合中不确定性的定量估计,从而提供了最终模型质量的客观度量。总体而言,Mollack促进了无序蛋白质的结构功能研究。

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