Empirical scale of side-chain conformational entropy in protein folding.

  title={Empirical scale of side-chain conformational entropy in protein folding.},
  author={Stephen D. Pickett and Michael J. E. Sternberg},
  journal={Journal of molecular biology},
  volume={231 3},
A major effect in the energetics of protein folding is the loss of conformational entropy of the side-chains. The definition of entropy as the Boltzmann sampling over all states (S = -R sigma p(i) ln p(i)) requires evaluation of the probability (p(i)) of the system being in rotameric state i. The principle of this paper is to obtain an estimate of p(i) from the observed distribution of exposed side-chain rotamers in 50 non-homologous protein crystal structures. However because of limited data… CONTINUE READING


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