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Volumn 104, Issue 31, 2000, Pages 7535-7544

The effect of metal binding to the N7 site of purine nucleotides on their structure, energy, and involvement in base pairing

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; BINDING ENERGY; CHARGE TRANSFER; DNA; ELECTROSTATICS; HYDROGEN BONDS; MAGNESIUM COMPOUNDS; POSITIVE IONS; PROTONS; QUANTUM THEORY; ZINC;

EID: 0034249870     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001711m     Document Type: Article
Times cited : (142)

References (106)
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    • (1999) The RNA World, 2nd Ed. , pp. 287
    • Feig, A.L.1    Uhlenbeck, O.C.2
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    • Pyle, A.M.1
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    • and references therein.
    • (h) Ab initio calculations are of a comparable accuracy with gas-phase experiments. See: Hoyau, S.; Norrman, K.; McMahon, T. B.; Ohanessian, G. J. Am. Chem. Soc. 1999, 727, 8864 and references therein.
    • (1999) J. Am. Chem. Soc. , vol.727 , pp. 8864
    • Hoyau, S.1    Norrman, K.2    McMahon, T.B.3    Ohanessian, G.4
  • 82
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    • This roughly corresponds to the gas-phase situation at a temperature of 0 K. The interaction energies thus differ from free energies of complexation as known from experiments (see ref 21h).
    • This roughly corresponds to the gas-phase situation at a temperature of 0 K. The interaction energies thus differ from free energies of complexation as known from experiments (see ref 21h).
  • 85
  • 91
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    • 2+ cation away from the O6 position, in contrast to the studies ignoring the backbone (see ref 17d)
    • 2+ cation away from the O6 position, in contrast to the studies ignoring the backbone (see ref 17d).
  • 93
    • 85088882879 scopus 로고    scopus 로고
    • - anion in a hydration shell of magnesium'reduces the O-M separation by ca. 0.2 Å (see ref 17d).
    • - anion in a hydration shell of magnesium'reduces the O-M separation by ca. 0.2 Å (see ref 17d).
  • 94
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    • Our result obviously does not rule out an alternative binding of soft cations to S6, assuming different starting geometries. However, with absence of the backbone neither cadmium nor mercury has a minimum corresponding to N7-only binding (see ref 17g).
    • Our result obviously does not rule out an alternative binding of soft cations to S6, assuming different starting geometries. However, with absence of the backbone neither cadmium nor mercury has a minimum corresponding to N7-only binding (see ref 17g).


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