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  • The intrinsic contributions to the stabilization of imidazopyridopyrimidine-containing DNA duplexes, which are new, promising unnatural DNA motifs, were discussed. The MP2/6-31G*(0.25) interaction energies for the optimal HF/6-31G** hydrogen-bonding arrangements of the complexes between the respective imidazopyridopyrimidine derivatives and guanine covered the range from –60.0 to –101.7 kJ/mol. The MP2/6-31G*(0.25) stacking energies were investigated for a variety of vertical and angular orientations. For some of them, the stacking interaction was found to be competitive to the hydrogen-bonding.
  • The intrinsic contributions to the stabilization of imidazopyridopyrimidine-containing DNA duplexes, which are new, promising unnatural DNA motifs, were discussed. The MP2/6-31G*(0.25) interaction energies for the optimal HF/6-31G** hydrogen-bonding arrangements of the complexes between the respective imidazopyridopyrimidine derivatives and guanine covered the range from –60.0 to –101.7 kJ/mol. The MP2/6-31G*(0.25) stacking energies were investigated for a variety of vertical and angular orientations. For some of them, the stacking interaction was found to be competitive to the hydrogen-bonding. (en)
Title
  • Theoretical studies of interactions between imidazopyridopyrimidines and guanine
  • Theoretical studies of interactions between imidazopyridopyrimidines and guanine (en)
skos:prefLabel
  • Theoretical studies of interactions between imidazopyridopyrimidines and guanine
  • Theoretical studies of interactions between imidazopyridopyrimidines and guanine (en)
skos:notation
  • RIV/61389013:_____/08:00309608!RIV10-AV0-61389013
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(KJB400500602), Z(AV0Z40500505)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 399826
http://linked.open...ai/riv/idVysledku
  • RIV/61389013:_____/08:00309608
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • DNA; nucleobase; hydrogen-bonding (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [55F27B973A08]
http://linked.open...v/mistoKonaniAkce
  • Bucharest
http://linked.open...i/riv/mistoVydani
  • Bucharest
http://linked.open...i/riv/nazevZdroje
  • Mathematics and Computers in Biology and Chemistry. Book Series: Recent Advances in Biology and Biomedicine
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Czernek, Jiří
http://linked.open...vavai/riv/typAkce
http://linked.open...ain/vavai/riv/wos
  • 000258094800030
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
http://purl.org/ne...btex#hasPublisher
  • Academia Romana
https://schema.org/isbn
  • 978-960-6766-75-6
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