High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition of Solution Scattering Data

@article{Merzel2005HighDensityHL,
  title={High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition of Solution Scattering Data},
  author={Franci Merzel and Jeremy C. Smith},
  journal={Journal of chemical information and modeling},
  year={2005},
  volume={45 6},
  pages={1593-9}
}
A characterization of the physical properties of protein hydration water is critical for understanding protein structure and function. Recent small-angle X-ray and neutron scattering data indicate that the density of water on the surface of lysozyme is significantly higher than in bulk water. Here, we provide an interpretation of the scattering results using a molecular dynamics simulation, which allows us to make quantitative predictions about density variations in the first hydration shell… CONTINUE READING