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Kinked helices in nucleic acids—A molecular orbital investigation
Author(s) -
Vasilescu D.,
Broch H.,
Cabrol D.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560140732
Subject(s) - nucleic acid , dna , chemistry , crystallography , stereochemistry , computational chemistry , rotation (mathematics) , molecular orbital , biochemistry , molecule , organic chemistry , mathematics , geometry
The rotation around the C4′—C5′ exocyclic bond on a disugar triphosphate unit (DNA) with uniform C2′ endo puckering or mixed sequences 2 E 3 E and 3 E 2 E is studied. We will show that the kink is generally plausible; the Sobell hypothesis has to be completed, and that considerations on monohelices without bases cannot be totally extrapolated onto the B‐DNA double‐stranded model.