Literature DB >> 24771341

iMODS: internal coordinates normal mode analysis server.

José Ramón López-Blanco1, José I Aliaga2, Enrique S Quintana-Ortí2, Pablo Chacón3.   

Abstract

Normal mode analysis (NMA) in internal (dihedral) coordinates naturally reproduces the collective functional motions of biological macromolecules. iMODS facilitates the exploration of such modes and generates feasible transition pathways between two homologous structures, even with large macromolecules. The distinctive internal coordinate formulation improves the efficiency of NMA and extends its applicability while implicitly maintaining stereochemistry. Vibrational analysis, motion animations and morphing trajectories can be easily carried out at different resolution scales almost interactively. The server is versatile; non-specialists can rapidly characterize potential conformational changes, whereas advanced users can customize the model resolution with multiple coarse-grained atomic representations and elastic network potentials. iMODS supports advanced visualization capabilities for illustrating collective motions, including an improved affine-model-based arrow representation of domain dynamics. The generated all-heavy-atoms conformations can be used to introduce flexibility for more advanced modeling or sampling strategies. The server is free and open to all users with no login requirement at http://imods.chaconlab.org.
© The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

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Year:  2014        PMID: 24771341      PMCID: PMC4086069          DOI: 10.1093/nar/gku339

Source DB:  PubMed          Journal:  Nucleic Acids Res        ISSN: 0305-1048            Impact factor:   16.971


  24 in total

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Authors:  Eric C Dykeman; Otto F Sankey
Journal:  J Phys Condens Matter       Date:  2010-10-07       Impact factor: 2.333

8.  iMod: multipurpose normal mode analysis in internal coordinates.

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  89 in total

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10.  MMB-GUI: a fast morphing method demonstrates a possible ribosomal tRNA translocation trajectory.

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