The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C* versa A*·C. A QM and QTAIM atomistic understanding.
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Molecular docking and dynamics simulations on the interaction of cationic porphyrin-anthraquinone hybrids with DNA G-quadruplexes.Effects of Environmental Factors and Metallic Electrodes on AC Electrical Conduction Through DNA MoleculeA novel conception for spontaneous transversions caused by homo-pyrimidine DNA mismatches: a QM/QTAIM highlight.Tautomeric transition between wobble A·C DNA base mispair and Watson-Crick-like A·C* mismatch: microstructural mechanism and biological significance.How many tautomerization pathways connect Watson-Crick-like G*·T DNA base mispair and wobble mismatches?Theoretical insight into the structural mechanism for the binding of vinblastine with tubulin.Genetic algorithms coupled with quantum mechanics for refinement of force fields for RNA simulation: a case study of glycosidic torsions in the canonical ribonucleosides.Protonation and deprotonation enthalpies of alloxan and implications for the structure and energy of its complexes with water: a computational study.Gas-phase acidity and dynamics of the protonation processes of carbidopa and levodopa. A QM/QD study.Formic acid catalyzed isomerization of protonated cytosine: a lower barrier reaction for tautomer production of potential biological importance.The computational prediction of Raman and ROA spectra of charged histidine tautomers in aqueous solution.Physico-chemical profiles of the wobble ↔ Watson-Crick G*·2AP(w) ↔ G·2AP(WC) and A·2AP(w) ↔ A*·2AP(WC) tautomerisations: a QM/QTAIM comprehensive survey.Hybrid MC/QC simulations of water-assisted proton transfer in nucleosides. Guanosine and its analog acyclovir.Theoretical study of enzymatically catalyzed tautomerization of carbon acids in aqueous solution: quantum calculations and steered molecular dynamics simulations.The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation.The nature of the transition mismatches with Watson-Crick architecture: the G*·T or G·T* DNA base mispair or both? A QM/QTAIM perspective for the biological problem.Cooperativity effect involving drug-DNA/RNA intermolecular interaction: A B3LYP-D3 and MP2 theoretical investigation on ketoprofen⋯cytosine⋯H2O system.Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.Structural significance of modified nucleoside 5-taurinomethyl-2-thiouridine, τm5s2U, found at ‘wobble’ position in anticodon loop of human mitochondrial tRNALys
P2860
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P2860
The physicochemical essence of the purine·pyrimidine transition mismatches with Watson-Crick geometry in DNA: A·C* versa A*·C. A QM and QTAIM atomistic understanding.
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2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
The physicochemical essence of ...... QTAIM atomistic understanding.
@en
The physicochemical essence of ...... QTAIM atomistic understanding.
@nl
type
label
The physicochemical essence of ...... QTAIM atomistic understanding.
@en
The physicochemical essence of ...... QTAIM atomistic understanding.
@nl
prefLabel
The physicochemical essence of ...... QTAIM atomistic understanding.
@en
The physicochemical essence of ...... QTAIM atomistic understanding.
@nl
P2860
P1476
The physicochemical essence of ...... QTAIM atomistic understanding
@en
P2093
Dmytro M Hovorun
P2860
P356
10.1080/07391102.2013.852133
P577
2013-11-21T00:00:00Z