iMODS: internal coordinates normal mode analysis server
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Show full item recordcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7036
comunitat-uji-handle3:10234/8620
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INVESTIGACIONMetadata
Title
iMODS: internal coordinates normal mode analysis serverAuthor (s)
Date
2014Publisher
Oxford University PressISSN
0305-1048; 1362-4962Bibliographic citation
LÓPEZ-BLANCO, José Ramón, et al. iMODS: internal coordinates normal mode analysis server. Nucleic acids research, 2014, vol. 42, no W1, p. W271-W276.Type
info:eu-repo/semantics/articlePublisher version
http://nar.oxfordjournals.org/content/42/W1/W271.longAbstract
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 ... [+]
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 animationś 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. [-]
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Nucleic acids research, 2014, vol. 42, no W1Rights
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- ICC_Articles [425]