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Analysis of biomolecular chaos in aqueous solution

✍ Scribed by Vincenzo Villani; José M. Zaldivar Comenges

Book ID
105886838
Publisher
Springer
Year
2000
Tongue
English
Weight
131 KB
Volume
104
Category
Article
ISSN
1432-2234

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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
✍ Francis T. Marchese 📂 Article 📅 1990 🏛 John Wiley and Sons 🌐 English ⚖ 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