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- W2073162847 abstract "Abstract To understand the physical mechanisms of the structural–dynamic organization of the DNA double helix, it is important to investigate the spectrum of vibration modes of Watson–Crick base pairs with different models of H‐bonding complexes. Using the PM3 technique, we calculate the energy of low‐frequency intra‐ and inter‐molecular vibration modes of isolated canonical nucleoside and nucleotide pairs and analyze the dependence on the elongation of oligonucleotide double helix. The vibration spectrum of hydrated duplex [d(ApA) · d(TpT)] −2 · 47H 2 O was also calculated to elucidate the role of water in formation of the DNA spectrum. The results are compared with the available experimental data and analytical estimations. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004" @default.
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- W2073162847 date "2004-01-01" @default.
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- W2073162847 title "Low‐frequency intra‐ and intermolecular vibration modes of H‐bonded nucleobases in oligonucleotide double helixes and hydrated nucleotide duplex: Application of the PM3 method" @default.
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- W2073162847 doi "https://doi.org/10.1002/qua.20065" @default.
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