CABS-flex 2.0：一个快速模拟蛋白质结构灵活性的Web服务器
CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures
摘要：
蛋白质柔性的经典模拟在计算上仍然是昂贵的，特别是对于大的蛋白质。几年前，我们开发了一种快速预测蛋白质结构波动的方法，该方法使用单个蛋白质模型作为输入。该方法已被用作CABS-Flex Web服务器，并应用于蛋白质结构-功能关系的许多研究。在这里，我们介绍了CABS-flex Web服务器到2.0版本的主要更新。新功能包括：该方法的扩展，以显着更大和多聚体蛋白质，可定制的距离限制和模拟参数，接触地图和一个新的，增强的网络服务器界面。CABS-flex 2.0可在http://biocomp.chem.uw.edu.pl/CABSflex2上免费获得
英文摘要：
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input. The method has been made available as the CABS-flex web server and applied in numerous studies of protein structure-function relationships. Here, we present a major update of the CABS-flex web server to version 2.0. The new features include: extension of the method to significantly larger and multimeric proteins, customizable distance restraints and simulation parameters, contact maps and a new, enhanced web server interface. CABS-flex 2.0 is freely available at http://biocomp.chem.uw.edu.pl/CABSflex2
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