Protein hydration density: theory, simulations and crystallography.
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.
Pettitt
B M
BM
Department of Chemistry, University of Houston, TX 77024-5641, USA. pettitt@uh.edu
Makarov
V A
VA
Andrews
B K
BK
D003461:Crystallography; D004563:Electrochemistry; D046911:Macromolecular Substances; D008956:Models, Chemical; D011336:Probability; D011506:Proteins / Q000737:chemistry*; D014867:Water / Q000737:chemistry
D046911:Macromolecular Substances; D011506:Proteins; D014867:Water