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MODE-TASK: large-scale protein motion tools

2018    Ross, Caroline; Nizami, Bilal; Glenister, Michael; Amamuddy, Olivier Sheik; Atilgan, Ali Rana; Atilgan, Canan; Bishop, Ozlem Tastan

MODE-TASK, a novel and versatile software suite, comprises Principal Component Analysis, Multidimensional Scaling, and t-Distributed Stochastic Neighbor Embedding techniques using Molecular Dynamics trajectories. MODE-TASK also includes a Normal Mode Analysis tool based on Anisotropic Network Model so as to provide a variety of ways to analyse and compare large-scale motions of protein complexes for which long MD simulations are prohibitive. Beside the command line function, a GUI has been developed as a PyMOL plugin.