Coarse-grained modelling of the intrinsically disordered protein Histatin 5 in solution. Monte Carlo simulations in combination with SAXS.
Monte Carlo simulations and coarse-grained modelling have been used to analyze Histatin 5, which is an unstructured short cationic salivary peptide known to have anti-candidical properties. The calculated scattering functions have been compared with intensity curves and the distance distribution function P(r) obtained from SAXS, at both high and low salt concentrations. The aim is to achieve a mol
