TY - JOUR
T1 - Protein hydration density
T2 - Theory, simulations and crystallography
AU - Pettitt, B. Montgomery
AU - Makarov, Vladimir A.
AU - Andrews, B. Kim
N1 - Funding Information:
We would like to thank PE Smith, RM Brunne and WF van Gunsteren for making the molecular dynamics trajectory of BPTI available to us, and GN Phillips, V Lounnas, WR Rudnicki, N Prabhu and M Sabripnur for helpful discussions concerning this work. Financial support from the Robert A Welch Foundation, National Institutes of Health, National Science Foundation and the Keck Center fur Computational Biology (to B Kim Andrews) is gratefldly acknowledged.
PY - 1998/4
Y1 - 1998/4
N2 - 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.
AB - 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.
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U2 - 10.1016/S0959-440X(98)80042-0
DO - 10.1016/S0959-440X(98)80042-0
M3 - Article
C2 - 9631296
AN - SCOPUS:0032054168
VL - 8
SP - 218
EP - 221
JO - Current Opinion in Structural Biology
JF - Current Opinion in Structural Biology
SN - 0959-440X
IS - 2
ER -