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• W2158855440 abstract "Synopsis In order to obtain a molecular picture of the A and B forms of a DNA subunit, potential energy calculations have been made for dGpdC with C(Y)-endo and C(2’)-endo [or C(3’)ero] sugar puckerings. These are compared with results for GpC. The global minima for dGpdC and GpC are almost identical. They are like A-form duplex DNA and RNA, respectively, with bases anti, the w’, w angle pair near 300°, 280°, and sugar pucker C(3’)endo. For dGpdC, a B-form helical conformer, with sugar pucker C(2’bendo and w’ = 257O, w = 298O, is found only 0.4 kcal/mol above the global minimum. A second low-energy conformation (2.3 kcal/mol) has w’ = 263’, w = 158’ and $ near 180’. This has dihedral angles like the original Watson-Crick model of the double helix. In contrast, for GpC, the C(2’)-endo B form is 6.9 kcal/mol above the global minimum. These theoretical results are consistent with experimental studies on DNA and RNA fibers. DNA fibers exist in both A and B forms, while RNA fibers generally assume only the A form. A lowenergy conformation unlike the A or B forms was found for both dGpdC and GpC when the sugars were C(3’)-endo. This conformation-w’,w near 20’ $0’-was not observed for C(2’-endo dGpdC. Energy surface maps in the w’,w plane showed that C(2’)-endo dGpdC has one low-energy valley. It is in the B-form helical region (w’ - 260°, w - 300). When the sugar pucker is C(3’)-endo, dGpdC has two low-energy regions: the A-form helical region and the region with the minimum at w’ = 16O, w = 85’." @default.
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• W2158855440 date "1975-12-01" @default.
• W2158855440 modified "2023-09-23" @default.
• W2158855440 title "The A and B conformations of DNA and RNA subunits. Potential energy calculations for dGpdC" @default.
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• W2158855440 doi "https://doi.org/10.1002/bip.1975.360141217" @default.
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