Protein hydration density: theory, simulations and crystallography

Curr Opin Struct Biol. 1998 Apr;8(2):218-21. doi: 10.1016/s0959-440x(98)80042-0.

Abstract

Models of protein hydration are becoming increasingly more accurate in comparison with experimental data. The recent success of these models implies that the major features of the solvation layers are dominated by local correlations and that such correlations are universal. The excellent agreement between theoretical and experimental solvent electron density radial distributions marks a significant success in our ability to accurately model macromolecular hydration.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.
  • Review

MeSH terms

  • Crystallography
  • Electrochemistry
  • Macromolecular Substances
  • Models, Chemical
  • Probability
  • Proteins / chemistry*
  • Water / chemistry

Substances

  • Macromolecular Substances
  • Proteins
  • Water