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The optimum wobble structures (characterized as real minima) were obtained starting from different single and bifurcated H-bond configurations. The optimized structure is similar to that found during MD-simulations of triplex-DNA structures in aqueous solutions (Soliva et al. to be published)
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b) Lee, C., Yang, W , Parr, R.G. Phys. Rev. B, 1988, 37, 785. The optimum wobble structures (characterized as real minima) were obtained starting from different single and bifurcated H-bond configurations. The optimized structure is similar to that found during MD-simulations of triplex-DNA structures in aqueous solutions (Soliva et al. to be published)
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84920307284
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B3LYP/6-31G(d) has been proved to be the best reasonable choice for the calculation of geometries and energies of H-bonded base pairs (ref. 14)
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13. B3LYP/6-31G(d) has been proved to be the best reasonable choice for the calculation of geometries and energies of H-bonded base pairs (ref. 14).
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84920307282
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note
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14: 4591.4).
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20
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84920307281
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note
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19. Melting temperatures of 8AG duplexes (0 15 M NaCl, 50 mM Tris-HCl buffer pH 7.5) were measured in the following duplex TAG AGG XTC CAT TGC 3′ • 3′ ATC TCC YAG GTA ACG 5′ The Tm (°C) were: X=G Y=C 61, X=8AG Y=C 61, X=G Y=A X=8AG Y=A 54, X=G Y=G 57, X=8AG Y=G 55, X=G Y=T 52, X=8AG Y=T 52.
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21
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0025997454
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20. Xodo, L.E., Manzini, G., Quadrifolio, F., van der Marel, G.A., van Boom, J.H Nucleic Acids Res , 1991, 19, 5625.
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Xodo, L.E.1
Manzini, G.2
Quadrifolio, F.3
Van Der Marel, G.A.4
Van Boom, J.H.5
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