Role of conformational sampling in computing mutation-induced changes in protein structure and stability.

@article{Kellogg2011RoleOC,
  title={Role of conformational sampling in computing mutation-induced changes in protein structure and stability.},
  author={Elizabeth H. Kellogg and Andrew Leaver-Fay and David Baker},
  journal={Proteins},
  year={2011},
  volume={79 3},
  pages={
          830-8
        }
}
The prediction of changes in protein stability and structure resulting from single amino acid substitutions is both a fundamental test of macromolecular modeling methodology and an important current problem as high throughput sequencing reveals sequence polymorphisms at an increasing rate. In principle, given the structure of a wild-type protein and a point mutation whose effects are to be predicted, an accurate method should recapitulate both the structural changes and the change in the… CONTINUE READING
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