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Interaction of Water with DNA Single‐Helix in the A Conformation
Author(s) -
Clementi E.,
Corongiu G.
Publication year - 1979
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1979.360181005
Subject(s) - helix (gastropod) , chemistry , planar , monte carlo method , perpendicular , maxima and minima , dna , crystallography , alpha helix , cluster (spacecraft) , chemical physics , basis (linear algebra) , molecular physics , geometry , circular dichroism , biochemistry , ecology , mathematical analysis , statistics , computer graphics (images) , mathematics , biology , snail , computer science , programming language
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.