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Interaction of Water with DNA Single-Helix in the A Conformation

✍ Scribed by E. Clementi; G. Corongiu


Publisher
Wiley (John Wiley & Sons)
Year
1979
Tongue
English
Weight
1021 KB
Volume
18
Category
Article
ISSN
0006-3525

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✦ Synopsis


Abstract

The interaction energy between water and the DNA single helix in the A conformation is computed at a number of planar cross sections perpendicular to the long axis of the helix and for cylindrical surfaces enclosing the helix. In addition, Monte Carlo simulations are presented for a small cluster of water around regions of energy minima. On the basis of these simulations, the structure of water for the DNA (single helix in the A conformation) is proposed and discussed.


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