Coarse-grained modeling of the intrinsically disordered protein Histatin 5 in solution: Monte Carlo simulations in combination with SAXS.

@article{Cragnell2016CoarsegrainedMO,
  title={Coarse-grained modeling of the intrinsically disordered protein Histatin 5 in solution: Monte Carlo simulations in combination with SAXS.},
  author={Carolina Cragnell and Dominique Durand and Bernard Cabane and Marie Skep{\"o}},
  journal={Proteins},
  year={2016},
  volume={84 6},
  pages={
          777-91
        }
}
Monte Carlo simulations and coarse-grained modeling have been used to analyze Histatin 5, an unstructured short cationic salivary peptide known to have anticandidical properties. The calculated scattering functions have been compared with intensity curves and the distance distribution function P(r) obtained from small angle X-ray scattering (SAXS), at both high and low salt concentrations. The aim was to achieve a molecular understanding and a physico-chemical insight of the obtained SAXS… CONTINUE READING
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