Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication

@inproceedings{Guarnera2016StructureBasedSM,
  title={Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication},
  author={Enrico Guarnera and Igor N. Berezovsky},
  booktitle={PLoS Computational Biology},
  year={2016}
}
Allostery is one of the pervasive mechanisms through which proteins in living systems carry out enzymatic activity, cell signaling, and metabolism control. Effective modeling of the protein function regulation requires a synthesis of the thermodynamic and structural views of allostery. We present here a structure-based statistical mechanical model of allostery, allowing one to observe causality of communication between regulatory and functional sites, and to estimate per residue free energy… CONTINUE READING
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