• Corpus ID: 18782784

Efficient inference of protein structural ensembles

  title={Efficient inference of protein structural ensembles},
  author={Thomas J. Lane and Christian Schwantes and Kyle A. Beauchamp and Vijay S. Pande},
  journal={arXiv: Biological Physics},
It is becoming clear that traditional, single-structure models of proteins are insufficient for understanding their biological function. Here, we outline one method for inferring, from experiments, not only the most common structure a protein adopts (native state), but the entire ensemble of conformations the system can adopt. Such ensemble mod- els are necessary to understand intrinsically disordered proteins, enzyme catalysis, and signaling. We suggest that the most difficult aspect of… 

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