Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis
about
Conformational analysis, molecular structure and solid state simulation of the antiviral drug acyclovir (zovirax) using density functional theory methods.Direct NMR Evidence that Transient Tautomeric and Anionic States in dG·dT Form Watson-Crick-like Base Pairs.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.Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine. Simulation of the 1st phosphorylation step with ATP.Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2'-deoxyuridine and the natural nucleoside 2'-deoxythymidine using MP2 and DFT methods: conformational analysis, crystal simulations, DNA pairs and possible behaviour.The physico-chemical "anatomy" of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives.Configuration of wobble base pairs having pyrimidines as anticodon wobble bases: significance for codon degeneracy.Can tautomerization of the A·T Watson-Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM analysis.Atomistic understanding of the C·T mismatched DNA base pair tautomerization via the DPT: QM and QTAIM computational approaches.Electron ionization of the nucleobases adenine and hypoxanthine near the threshold: a combined experimental and theoretical study.Why the tautomerization of the G·C Watson-Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive analysis.A theoretical investigation on the conformation and the interaction of CHF₂OCF₂CHF₂ (desflurane II) with one water molecule.Role of 6-Mercaptopurine in the potential therapeutic targets DNA base pairs and G-quadruplex DNA: insights from quantum chemical and molecular dynamics simulations.Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.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.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.Atomistic nature of the DPT tautomerisation of the biologically important C·C* DNA base mispair containing amino and imino tautomers of cytosine: a QM and QTAIM approach.
P2860
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P2860
Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis
description
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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name
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@en
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
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type
label
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@en
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@nl
prefLabel
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@en
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@nl
P2860
P1476
Prototropic tautomerism and ba ...... tive quantum-chemical analysis
@en
P2860
P304
P356
10.1080/07391102.2012.715041
P407
P577
2013-01-01T00:00:00Z