Iso-energetic multiple conformations of hypermodified nucleic acid base wybutine (yW) which occur at 37(th) position in anticodon loop of tRNA(Phe)

Conformational preferences of wybutine (yW) have been studied by quantum chemical semi-empirical Perturbative Configuration Interaction with Localized Orbitals (PCILO) and PM3 methods. Automated full geometry optimization by using RM1 along with ab-initio Hartree-Fock (HF-SCF) and Density Functional...

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Veröffentlicht in:Journal of molecular graphics & modelling 2011-06, Vol.29 (7), p.935-946
Hauptverfasser: Kumbhar, Navanath M, Sonawane, Kailas D
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Sprache:eng
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