Simulated tempering yields insight into the low‐resolution Rosetta scoring functions

@article{Bowman2009SimulatedTY,
  title={Simulated tempering yields insight into the low‐resolution Rosetta scoring functions},
  author={Gregory R. Bowman and Vijay S. Pande},
  journal={Proteins: Structure},
  year={2009},
  volume={74}
}
Rosetta is a structure prediction package that has been employed successfully in numerous protein design and other applications. 1 Previous reports have attributed the current limitations of the Rosetta de novo structure prediction algorithm to inadequate sampling, particularly during the low‐resolution phase. 2–5 Here, we implement the Simulated Tempering (ST) sampling algorithm 6 , 7 in Rosetta to address this issue. ST is intended to yield canonical sampling by inducing a random walk in… 
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