Acta Crystallographica Section D
Acta Crystallographica
Section D
STRUCTURAL BIOLOGY
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Acta Cryst.
(2011).
D
67
,
739-741
https://doi.org/10.1107/S090744491102258X
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On the application of structure-specific bulk-solvent models
N. M. Glykos
Application of a highly detailed model for the bulk solvent obtained from molecular-dynamics simulations shows an improvement of the totally cross-validated free
R
value of only 0.3%.
Keywords:
crystallographic refinement
;
molecular-dynamics simulations
;
bulk-solvent correction
.
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