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An analysis of five simulation methods for determining the number of replications in a complex Monte Carlo study

โœ Scribed by Mark P. Finster

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
701 KB
Volume
5
Category
Article
ISSN
0167-7152

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Coordination numbers for biomolecular hy
Coordination numbers for biomolecular hydration: A quantitative method based on pattern recognition analysis of Monte Carlo simulations of aqueous solutions
โœ Francis T. Marchese ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 589 KB

coordination numher model (CNM) has been developed that reproduces coordination numbers generated by rigorous Monte Carlo simulations of dilute aqueous solutions. The molecular coordination number is calculated by using the volume of the Voronoi polyhedron surrounding each solute atom and a set of l