Predicting protein dynamics from structural ensembles.

  title={Predicting protein dynamics from structural ensembles.},
  author={Jeremy Copperman and Marina G Guenza},
  journal={The Journal of chemical physics},
  volume={143 24},
  • J. Copperman, M. Guenza
  • Published 29 September 2015
  • Chemistry, Physics, Biology, Medicine
  • The Journal of chemical physics
The biological properties of proteins are uniquely determined by their structure and dynamics. A protein in solution populates a structural ensemble of metastable configurations around the global fold. From overall rotation to local fluctuations, the dynamics of proteins can cover several orders of magnitude in time scales. We propose a simulation-free coarse-grained approach which utilizes knowledge of the important metastable folded states of the protein to predict the protein dynamics. This… 
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