Graphical visualization of mean hydration from molecular dynamics simulations.

@article{Pitera1997GraphicalVO,
  title={Graphical visualization of mean hydration from molecular dynamics simulations.},
  author={Jed W. Pitera and Peter A. Kollman},
  journal={Journal of molecular graphics & modelling},
  year={1997},
  volume={15 6},
  pages={355-8, 386-8}
}
How does one characterize water solvating a complex solute? Specific hydration of proteins and nucleic acids plays a key role in many biological processes. However, traditional pairwise descriptions of solvent structure (radial distribution functions, etc.) are incapable of adequately describing the hydration of these complex solutes. We have developed… CONTINUE READING