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Rapid Location of the Preferred Interaction Sites between Small Polar Molecules and Macromolecules. I. Binding of Water to the Component Units of Nucleic Acids

✍ Scribed by Marçal De Oliveira Neto

Publisher: John Wiley and Sons
Year: 1986
Tongue: English
Weight: 931 KB
Volume: 7
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540070503

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✦ Synopsis

An approximate procedure for the rapid detection of favored sites for the location of bound water on macromolecules has been developed with the aid of accurate electrostatic energy calculations. The method also enables us to picture the lability of the bound water molecules around the substrate. As an application the method has been used to study the interaction surface between nucleic acid components and a water molecule.

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Rapid Location of the Preferred Interact

Rapid Location of the Preferred Interaction Sites between Small Polar Molecules and Macromolecules. II. Binding of Water to a Model Segment of B-DNA

✍ Marçal De Oliveira Neto 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 722 KB

The procedure developed in Part I of this series is applied to the homopolymeric sequences poly (dA) . poly(dT1 and poly (dG) . poly(dC) on the double helical structure of B-DNA. Some aspects of the base sequence influence on the polymer's attraction for water molecule are described. The results are