4.7 Article

MODE-TASK: large-scale protein motion tools

Journal

BIOINFORMATICS
Volume 34, Issue 21, Pages 3759-3763

Publisher

OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/bty427

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Funding

  1. National Research Foundation (NRF), South Africa [93690]
  2. National Human Genome Research Institute (NHGRI), Office of the Director, National Institutes of Health (OD) [U24HG006941]
  3. Scientific and Technological Research Council of Turkey [116F229]
  4. NATIONAL HUMAN GENOME RESEARCH INSTITUTE [U24HG006941] Funding Source: NIH RePORTER

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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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