. . "10" . . . "RIV/00216224:14310/05:00013729!RIV10-MSM-14310___" . "Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family" . "\u0160pa\u010Dkov\u00E1, Nad\u011B\u017Eda" . . . "\u0160poner, Ji\u0159\u00ED" . "RIV/00216224:14310/05:00013729" . . "P(GA203/05/0009), P(LN00A016), Z(AV0Z50040507)" . "109" . "10"^^ . "Kulh\u00E1nek, Petr" . "Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family" . . . . . . "14310" . . "5"^^ . "\u0160poner, Judit E." . "Large RNA molecules exhibit an astonishing variability of base-pairing patterns, while many of the RNA base-pairing families have no counterparts in DNA. The cis Watson-Crick/sugar edge (cis WC/SE) RNA base pairing is investigated by ab initio quantum chemical calculations. A detailed structural and energetic characterization of all 13 crystallographically detected members of this family is provided by means of B3LYP/ 6-31G** and RIMP2/aug-cc-pVDZ calculations. Further, a prediction is made for the remaining 3 cis WC/ SE base pairs which are yet to be seen in the experiments. The interaction energy calculations point at the key role of the 2 '-OH group in stabilizing the sugar-base contact and predict all 16 cis WC/SE base-pairing patterns to be nearly isoenergetic." . "1089-5639" . . . "[9DD24A0C8605]" . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . . "3"^^ . . . . "Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family"@en . . "JOURNAL OF PHYSICAL CHEMISTRY A" . . "Large RNA molecules exhibit an astonishing variability of base-pairing patterns, while many of the RNA base-pairing families have no counterparts in DNA. The cis Watson-Crick/sugar edge (cis WC/SE) RNA base pairing is investigated by ab initio quantum chemical calculations. A detailed structural and energetic characterization of all 13 crystallographically detected members of this family is provided by means of B3LYP/ 6-31G** and RIMP2/aug-cc-pVDZ calculations. Further, a prediction is made for the remaining 3 cis WC/ SE base pairs which are yet to be seen in the experiments. The interaction energy calculations point at the key role of the 2 '-OH group in stabilizing the sugar-base contact and predict all 16 cis WC/SE base-pairing patterns to be nearly isoenergetic."@en . . . . . "Leszczynski, Jerzy" . "LARGE RIBOSOMAL-SUBUNIT; NONEMPIRICAL AB-INITIO; CATION-PI INTERACTIONS; HYDRATED MG2+ CATION; CENTER-DOT-O; INTERACTION ENERGIES; ELECTRON CORRELATION; MOLECULAR-DYNAMICS; GUANINE-CYTOSINE; METAL-CATIONS"@en . "Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family"@en . "533074" .