Torsion angle dynamics for NMR structure calculation with the new program DYANA.

@article{Gntert1997TorsionAD,
  title={Torsion angle dynamics for NMR structure calculation with the new program DYANA.},
  author={Peter G{\"u}ntert and C Mumenthaler and Kurt W{\"u}thrich},
  journal={Journal of molecular biology},
  year={1997},
  volume={273 1},
  pages={
          283-98
        }
}
  • Peter Güntert, C Mumenthaler, Kurt Wüthrich
  • Published 1997
  • Medicine, Chemistry
  • Journal of molecular biology
  • The new program DYANA (DYnamics Algorithm for Nmr Applications) for efficient calculation of three-dimensional protein and nucleic acid structures from distance constraints and torsion angle constraints collected by nuclear magnetic resonance (NMR) experiments performs simulated annealing by molecular dynamics in torsion angle space and uses a fast recursive algorithm to integrate the equations of motions. Torsion angle dynamics can be more efficient than molecular dynamics in Cartesian… CONTINUE READING

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    Torsion-angle molecular dynamics as a new efficient tool for NMR structure calculation.

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