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Solvent model for protein crystals: on occupancy parameters for discrete solvent sites and the solvent continuum

✍ Scribed by Jensen, L. H.


Book ID
114514650
Publisher
International Union of Crystallography
Year
1990
Tongue
English
Weight
480 KB
Volume
46
Category
Article
ISSN
0108-7681

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A semi-implicit solvent model for the si
✍ Nathalie Basdevant; Daniel Borgis; Tap Ha-Duong πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 375 KB

## Abstract We present a new model of biomolecules hydration based on macroscopic electrostatic theory, that can both describe the microscopic details of solvent–solute interactions and allow for an efficient evaluation of the electrostatic hydration free energy. This semi‐implicit model considers