1972
DOI: 10.1016/0006-291x(72)90243-4
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Optimised parameters for A-DNA and B-DNA

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Cited by 1,011 publications
(595 citation statements)
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“…The atomic coordinates employed for the DNA allomorphs were taken from [ 18] and the models of both B-and A-DNA consisted of one full turn of the corresponding double helix. (ii) (---) due to these groups plus the screening Na+; (iii) (...) due to the phosphates plus the screening Mg 2+.…”
Section: Methodsmentioning
confidence: 99%
“…The atomic coordinates employed for the DNA allomorphs were taken from [ 18] and the models of both B-and A-DNA consisted of one full turn of the corresponding double helix. (ii) (---) due to these groups plus the screening Na+; (iii) (...) due to the phosphates plus the screening Mg 2+.…”
Section: Methodsmentioning
confidence: 99%
“…The interaction between a pair and the two closest neighbours only were taken into consideration. The bond lengths and valency angles for phosphate and bases were taken from [9]. Deoxyribose was used in two standard conformations, C2-endo [ 10] and C3-endo [9].…”
Section: Methodsmentioning
confidence: 99%
“…The bond lengths and valency angles for phosphate and bases were taken from [9]. Deoxyribose was used in two standard conformations, C2-endo [ 10] and C3-endo [9]. The locations of protons were calculated assuming the C-H distance to be 1.0 A.…”
Section: Methodsmentioning
confidence: 99%
“…Assuming the poly· mer to be in the B form and using the X-ray diffraction data of Arnott and Hukins (1972), such a structure was constructed where each atom on the DNA molecule was placed with its appropriate Cartesian coordinates. Around the sugar (C4' posi· tion), a sphere of radius 1 A was drawn to represent the reactivity of this site with ·OH.…”
Section: Indirect Mechanismmentioning
confidence: 99%