iMODS: internal coordinates normal mode analysis server

@inproceedings{LpezBlanco2014iMODSIC,
  title={iMODS: internal coordinates normal mode analysis server},
  author={Jos{\'e} Ram{\'o}n L{\'o}pez-Blanco and Jos{\'e} Ignacio Aliaga and Enrique S. Quintana-Ort{\'i} and Pablo Chac{\'o}n},
  booktitle={Nucleic Acids Research},
  year={2014}
}
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… CONTINUE READING
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