MODE-TASK: large-scale protein motion tools
Ross, Caroline Jane and Nizami, Bilal and Glenister, Michael and Amamuddy, Olivier Sheik and Atılgan, Ali Rana and Atılgan, Canan and Bishop, Özlem Taştan (2018) MODE-TASK: large-scale protein motion tools. Bioinformatics . ISSN 1367-4803 (Print) 1460-2059 (Online) Published Online First http://dx.doi.org/10.1093/bioinformatics/bty427
Official URL: http://dx.doi.org/10.1093/bioinformatics/bty427
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.
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