B-DNA structure and stability as function of nucleic acid composition: Dispersion-corrected DFT study of dinucleoside monophosphate single and double strands

Giampaolo Barone; Célia Fonseca Guerra; F. Matthias Bickelhaupt

doi:10.1002/open.201300019

B-DNA structure and stability as function of nucleic acid composition: Dispersion-corrected DFT study of dinucleoside monophosphate single and double strands

Giampaolo Barone, Célia Fonseca Guerra, F. Matthias Bickelhaupt

Research output: Contribution to journal › Article › peer-review

32 Citations (Scopus)

Abstract

Bonds and order: The stability of the B-DNA double helix is shown (see illustration), based on dispersion-corrected density functional computations, to depend not only on the number of hydrogen bonds in Watson-Crick base pairs but also on the order and orientation in which these base pairs occur.

Original language	English
Pages (from-to)	186-193
Number of pages	8
Journal	ChemistryOpen
Volume	2
Issue number	5-6
DOIs	https://doi.org/10.1002/open.201300019
Publication status	Published - Dec 2013
Externally published	Yes

Keywords

DNA structures
Density functional calculations
Hydrogen bonds
Stacking interactions
Watson-Crick base pairs

ASJC Scopus subject areas

General Chemistry

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10.1002/open.201300019

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title = "B-DNA structure and stability as function of nucleic acid composition: Dispersion-corrected DFT study of dinucleoside monophosphate single and double strands",

abstract = "Bonds and order: The stability of the B-DNA double helix is shown (see illustration), based on dispersion-corrected density functional computations, to depend not only on the number of hydrogen bonds in Watson-Crick base pairs but also on the order and orientation in which these base pairs occur.",

keywords = "DNA structures, Density functional calculations, Hydrogen bonds, Stacking interactions, Watson-Crick base pairs",

author = "Giampaolo Barone and \{Fonseca Guerra\}, C{\'e}lia and Bickelhaupt, \{F. Matthias\}",

year = "2013",

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AU - Barone, Giampaolo

AU - Fonseca Guerra, Célia

AU - Bickelhaupt, F. Matthias

PY - 2013/12

Y1 - 2013/12

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AB - Bonds and order: The stability of the B-DNA double helix is shown (see illustration), based on dispersion-corrected density functional computations, to depend not only on the number of hydrogen bonds in Watson-Crick base pairs but also on the order and orientation in which these base pairs occur.

KW - DNA structures

KW - Density functional calculations

KW - Hydrogen bonds

KW - Stacking interactions

KW - Watson-Crick base pairs

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U2 - 10.1002/open.201300019

DO - 10.1002/open.201300019

M3 - Article

AN - SCOPUS:84894548690

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ER -

B-DNA structure and stability as function of nucleic acid composition: Dispersion-corrected DFT study of dinucleoside monophosphate single and double strands

Abstract

Keywords

ASJC Scopus subject areas

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