A calculation strategy for the structure determination of symmetric dimers by 1H NMR.

@article{Nilges1993ACS,
  title={A calculation strategy for the structure determination of symmetric dimers by 1H NMR.},
  author={Michael Nilges},
  journal={Proteins},
  year={1993},
  volume={17 3},
  pages={297-309}
}
The structure determination of symmetric dimers by NMR is impeded by the ambiguity of inter- and intramonomer NOE crosspeaks. In this paper, a calculation strategy is presented that allows the calculation of dimer structures without resolving the ambiguity by additional experiments (like asymmetric labeling). The strategy employs a molecular dynamics-based simulated annealing approach to minimize a target function. The experimental part of the target function contains distance restraints that… CONTINUE READING
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